TL;DR: Piperidine, 1-(p-tolylsulfonyl)- (CAS 4703-22-4) is a chemical compound with molecular formula C12H17NO2S and molecular weight 239.098 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-methylphenyl)sulfonylpiperidine
Also Known As: 1-tosylpiperidine, 1-(p-Tolylsulfonyl)piperidine, 1-[(4-Methylphenyl)sulfonyl]piperidine, N-tosylpiperidine, Piperidine, 1-(p-tolylsulfonyl)-
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H17NO2S |
| Molecular Weight | 239.098 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.098 Da |
| Heavy Atoms | 16 |
| Complexity | 306.0 |
| Solubility | 20 [ug/mL] (The mean of the results at pH 7.4) |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2 |
| InChIKey | IGWGXOHABPCPHZ-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperidine, 1-(p-tolylsulfonyl)-. With a topological polar surface area (TPSA) of 45.8 Ų, Piperidine, 1-(p-tolylsulfonyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperidine, 1-(p-tolylsulfonyl)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Piperidine, 1-(p-tolylsulfonyl)- is 4703-22-4.
The molecular formula of Piperidine, 1-(p-tolylsulfonyl)- is C12H17NO2S.
The molecular weight of Piperidine, 1-(p-tolylsulfonyl)- is 239.098 g/mol.
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