TL;DR: 1-[(5-Methylthiophen-2-yl)sulfonyl]pyrrolidine-2-carboxylic acid (CAS 1008281-37-5) is a chemical compound with molecular formula C10H13NO4S2 and molecular weight 275.0286 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid
Also Known As: 1-[(5-methylthiophen-2-yl)sulfonyl]pyrrolidine-2-carboxylic acid, 1-[(5-methylthien-2-yl)sulfonyl]pyrrolidine-2-carboxylic acid, 1-[(5-methylthiophen-2-yl)sulfonyl]proline, 1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid, 1-[(5-methyl-2-thienyl)sulfonyl]pyrrolidine-2-carboxylic acid
| Molecular Formula | C10H13NO4S2 |
| Molecular Weight | 275.0286 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.0286 Da |
| Heavy Atoms | 17 |
| Complexity | 403.0 |
| SMILES | CC1=CC=C(S1)S(=O)(=O)N2CCCC2C(=O)O |
| InChIKey | XVCFDYYHZJBEBW-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(5-Methylthiophen-2-yl)sulfonyl]pyrrolidine-2-carboxylic acid. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(5-Methylthiophen-2-yl)sulfonyl]pyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, 1-[(5-Methylthiophen-2-yl)sulfonyl]pyrrolidine-2-carboxylic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[(5-Methylthiophen-2-yl)sulfonyl]pyrrolidine-2-carboxylic acid is 1008281-37-5.
The molecular formula of 1-[(5-Methylthiophen-2-yl)sulfonyl]pyrrolidine-2-carboxylic acid is C10H13NO4S2.
The molecular weight of 1-[(5-Methylthiophen-2-yl)sulfonyl]pyrrolidine-2-carboxylic acid is 275.0286 g/mol.
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