N-(1-Methyl-2-pyrrolidinylidene)-2-oxo-1-pyrrolidineethanethioamide
TL;DR: N-(1-Methyl-2-pyrrolidinylidene)-2-oxo-1-pyrrolidineethanethioamide (CAS 126647-17-4) is a chemical compound with molecular formula C11H17N3OS and molecular weight 239.10924 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1-methylpyrrolidin-2-ylidene)-2-(2-oxopyrrolidin-1-yl)ethanethioamide
Also Known As: 1-thiocarbamoylpyrrolidone-2, N-(1-Methyl-2-pyrrolidinylidene)-2-oxo-1-pyrrolidineethanethioamide, 1-(N-(1-Methyl-2-pyrrolidine)thiocarbamidomethyl)-2-pyrrolidone, 1-Pyrrolidineethanethioamide, N-(1-methyl-2-pyrrolidinylidene)-2-oxo-, N-(1-methylpyrrolidin-2-ylidene)-2-(2-oxopyrrolidin-1-yl)ethanethioamide
Technical Specifications
| Molecular Formula | C11H17N3OS |
| Molecular Weight | 239.10924 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 68.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.10924 Da |
| Heavy Atoms | 16 |
| Complexity | 340.0 |
| SMILES | CN1CCCC1=NC(=S)CN2CCCC2=O |
| InChIKey | DNCZFMOGMRMAGQ-UHFFFAOYSA-N |
Chemical Property Profile of N-(1-Methyl-2-pyrrolidinylidene)-2-oxo-1-pyrrolidineethanethioamide
Property Insights of N-(1-Methyl-2-pyrrolidinylidene)-2-oxo-1-pyrrolidineethanethioamide
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-Methyl-2-pyrrolidinylidene)-2-oxo-1-pyrrolidineethanethioamide. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-Methyl-2-pyrrolidinylidene)-2-oxo-1-pyrrolidineethanethioamide. Following Lipinski's Rule of Five, N-(1-Methyl-2-pyrrolidinylidene)-2-oxo-1-pyrrolidineethanethioamide has 0 hydrogen bond donor(s) and 2 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-(1-Methyl-2-pyrrolidinylidene)-2-oxo-1-pyrrolidineethanethioamide?
The CAS number of N-(1-Methyl-2-pyrrolidinylidene)-2-oxo-1-pyrrolidineethanethioamide is 126647-17-4.
What is the molecular formula of N-(1-Methyl-2-pyrrolidinylidene)-2-oxo-1-pyrrolidineethanethioamide?
The molecular formula of N-(1-Methyl-2-pyrrolidinylidene)-2-oxo-1-pyrrolidineethanethioamide is C11H17N3OS.
What is the molecular weight of N-(1-Methyl-2-pyrrolidinylidene)-2-oxo-1-pyrrolidineethanethioamide?
The molecular weight of N-(1-Methyl-2-pyrrolidinylidene)-2-oxo-1-pyrrolidineethanethioamide is 239.10924 g/mol.
Where can I buy N-(1-Methyl-2-pyrrolidinylidene)-2-oxo-1-pyrrolidineethanethioamide?
You can request a quote for N-(1-Methyl-2-pyrrolidinylidene)-2-oxo-1-pyrrolidineethanethioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(1-Methyl-2-pyrrolidinylidene)-2-oxo-1-pyrrolidineethanethioamide?
Yes, CoreyChem provides custom synthesis services for N-(1-Methyl-2-pyrrolidinylidene)-2-oxo-1-pyrrolidineethanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.