3-(4-Methylbenzenesulfonyl)pyrrolidine
TL;DR: 3-(4-Methylbenzenesulfonyl)pyrrolidine (CAS 101768-39-2) is a chemical compound with molecular formula C11H15NO2S and molecular weight 225.08235 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-methylphenyl)sulfonylpyrrolidine
Also Known As: 3-(4-METHYLBENZENESULFONYL)PYRROLIDINE, 3-(4-methylphenyl)sulfonylpyrrolidine, BB 0260906
Technical Specifications
| Molecular Formula | C11H15NO2S |
| Molecular Weight | 225.08235 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.08235 Da |
| Heavy Atoms | 15 |
| Complexity | 299.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2CCNC2 |
| InChIKey | JGOXOHKKEMNLBX-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-Methylbenzenesulfonyl)pyrrolidine
Property Insights of 3-(4-Methylbenzenesulfonyl)pyrrolidine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methylbenzenesulfonyl)pyrrolidine. With a topological polar surface area (TPSA) of 54.6 Ų, 3-(4-Methylbenzenesulfonyl)pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methylbenzenesulfonyl)pyrrolidine 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 3-(4-Methylbenzenesulfonyl)pyrrolidine?
The CAS number of 3-(4-Methylbenzenesulfonyl)pyrrolidine is 101768-39-2.
What is the molecular formula of 3-(4-Methylbenzenesulfonyl)pyrrolidine?
The molecular formula of 3-(4-Methylbenzenesulfonyl)pyrrolidine is C11H15NO2S.
What is the molecular weight of 3-(4-Methylbenzenesulfonyl)pyrrolidine?
The molecular weight of 3-(4-Methylbenzenesulfonyl)pyrrolidine is 225.08235 g/mol.
Where can I buy 3-(4-Methylbenzenesulfonyl)pyrrolidine?
You can request a quote for 3-(4-Methylbenzenesulfonyl)pyrrolidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Methylbenzenesulfonyl)pyrrolidine?
Yes, CoreyChem provides custom synthesis services for 3-(4-Methylbenzenesulfonyl)pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.