N-(sec-Butyl)tetrahydrothiophen-3-amine 1,1-dioxide hydrochloride
TL;DR: N-(sec-Butyl)tetrahydrothiophen-3-amine 1,1-dioxide hydrochloride (CAS 1052420-41-3) is a chemical compound with molecular formula C8H18ClNO2S and molecular weight 227.07468 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-butan-2-yl-1,1-dioxothiolan-3-amine;hydrochloride
Also Known As: N-(sec-Butyl)tetrahydrothiophen-3-amine 1,1-dioxide hydrochloride, 3-[(butan-2-yl)amino]-1lambda6-thiolane-1,1-dione hydrochloride, L-2548, N-butan-2-yl-1,1-dioxothiolan-3-amine;hydrochloride, 1,1-dioxo-N-sec-butyl-thiolan-3-amine;hydrochloride
Technical Specifications
| Molecular Formula | C8H18ClNO2S |
| Molecular Weight | 227.07468 g/mol |
| XLogP | 0.9834 |
| Topological Polar Surface Area (TPSA) | 54.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.07468 Da |
| Heavy Atoms | 13 |
| Complexity | 230.0 |
| SMILES | CCC(C)NC1CCS(=O)(=O)C1.Cl |
| InChIKey | IXWFBNUFUMAENN-UHFFFAOYSA-N |
Chemical Property Profile of N-(sec-Butyl)tetrahydrothiophen-3-amine 1,1-dioxide hydrochloride
Property Insights of N-(sec-Butyl)tetrahydrothiophen-3-amine 1,1-dioxide hydrochloride
The XLogP value of 0.9834 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(sec-Butyl)tetrahydrothiophen-3-amine 1,1-dioxide hydrochloride. With a topological polar surface area (TPSA) of 54.6 Ų, N-(sec-Butyl)tetrahydrothiophen-3-amine 1,1-dioxide hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(sec-Butyl)tetrahydrothiophen-3-amine 1,1-dioxide hydrochloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(sec-Butyl)tetrahydrothiophen-3-amine 1,1-dioxide hydrochloride?
The CAS number of N-(sec-Butyl)tetrahydrothiophen-3-amine 1,1-dioxide hydrochloride is 1052420-41-3.
What is the molecular formula of N-(sec-Butyl)tetrahydrothiophen-3-amine 1,1-dioxide hydrochloride?
The molecular formula of N-(sec-Butyl)tetrahydrothiophen-3-amine 1,1-dioxide hydrochloride is C8H18ClNO2S.
What is the molecular weight of N-(sec-Butyl)tetrahydrothiophen-3-amine 1,1-dioxide hydrochloride?
The molecular weight of N-(sec-Butyl)tetrahydrothiophen-3-amine 1,1-dioxide hydrochloride is 227.07468 g/mol.
Where can I buy N-(sec-Butyl)tetrahydrothiophen-3-amine 1,1-dioxide hydrochloride?
You can request a quote for N-(sec-Butyl)tetrahydrothiophen-3-amine 1,1-dioxide hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(sec-Butyl)tetrahydrothiophen-3-amine 1,1-dioxide hydrochloride?
Yes, CoreyChem provides custom synthesis services for N-(sec-Butyl)tetrahydrothiophen-3-amine 1,1-dioxide hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.