4-acetyl-N-methylthiomorpholine-3-carboxamide
TL;DR: 4-acetyl-N-methylthiomorpholine-3-carboxamide (CAS 100042-43-1) is a chemical compound with molecular formula C8H14N2O2S and molecular weight 202.0776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-acetyl-N-methylthiomorpholine-3-carboxamide
Also Known As: 4-acetyl-N-methylthiomorpholine-3-carboxamide, 4-acetyl-N-methyl-thiomorpholine-3-carboxamide
Technical Specifications
| Molecular Formula | C8H14N2O2S |
| Molecular Weight | 202.0776 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.0776 Da |
| Heavy Atoms | 13 |
| Complexity | 220.0 |
| SMILES | CC(=O)N1CCSCC1C(=O)NC |
| InChIKey | ZYRHPLXXKTYNII-UHFFFAOYSA-N |
Chemical Property Profile of 4-acetyl-N-methylthiomorpholine-3-carboxamide
Property Insights of 4-acetyl-N-methylthiomorpholine-3-carboxamide
The XLogP value of -0.5 indicates that 4-acetyl-N-methylthiomorpholine-3-carboxamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-acetyl-N-methylthiomorpholine-3-carboxamide. Following Lipinski's Rule of Five, 4-acetyl-N-methylthiomorpholine-3-carboxamide has 1 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 4-acetyl-N-methylthiomorpholine-3-carboxamide?
The CAS number of 4-acetyl-N-methylthiomorpholine-3-carboxamide is 100042-43-1.
What is the molecular formula of 4-acetyl-N-methylthiomorpholine-3-carboxamide?
The molecular formula of 4-acetyl-N-methylthiomorpholine-3-carboxamide is C8H14N2O2S.
What is the molecular weight of 4-acetyl-N-methylthiomorpholine-3-carboxamide?
The molecular weight of 4-acetyl-N-methylthiomorpholine-3-carboxamide is 202.0776 g/mol.
Where can I buy 4-acetyl-N-methylthiomorpholine-3-carboxamide?
You can request a quote for 4-acetyl-N-methylthiomorpholine-3-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-acetyl-N-methylthiomorpholine-3-carboxamide?
Yes, CoreyChem provides custom synthesis services for 4-acetyl-N-methylthiomorpholine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.