3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(3-methylbutyl)propanamide
TL;DR: 3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(3-methylbutyl)propanamide (CAS 1327506-31-9) is a chemical compound with molecular formula C15H20N2O4S and molecular weight 324.11438 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-methylbutyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Also Known As: 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-isopentylpropanamide, N-(3-methylbutyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide, 3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(3-methylbutyl)propanamide
Technical Specifications
| Molecular Formula | C15H20N2O4S |
| Molecular Weight | 324.11438 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 91.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.11438 Da |
| Heavy Atoms | 22 |
| Complexity | 524.0 |
| SMILES | CC(C)CCNC(=O)CCN1C(=O)C2=CC=CC=C2S1(=O)=O |
| InChIKey | XIGSOJXPVUMYOO-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(3-methylbutyl)propanamide
Property Insights of 3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(3-methylbutyl)propanamide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(3-methylbutyl)propanamide. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(3-methylbutyl)propanamide. Following Lipinski's Rule of Five, 3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(3-methylbutyl)propanamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(3-methylbutyl)propanamide?
The CAS number of 3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(3-methylbutyl)propanamide is 1327506-31-9.
What is the molecular formula of 3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(3-methylbutyl)propanamide?
The molecular formula of 3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(3-methylbutyl)propanamide is C15H20N2O4S.
What is the molecular weight of 3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(3-methylbutyl)propanamide?
The molecular weight of 3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(3-methylbutyl)propanamide is 324.11438 g/mol.
Where can I buy 3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(3-methylbutyl)propanamide?
You can request a quote for 3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(3-methylbutyl)propanamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(3-methylbutyl)propanamide?
Yes, CoreyChem provides custom synthesis services for 3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(3-methylbutyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.