4-(4-methylphenyl)sulfonylpiperidine

C12H17NO2S — CID 2761095

IUPAC4-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)C2CCNCC2)cc1
InChIInChI=1S/C12H17NO2S/c1-10-2-4-11(5-3-10)16(14,15)12-6-8-13-9-7-12/h2-5,12-13H,6-9H2,1H3
InChIKeyPUMOKCFNAGLGPN-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.52
Rot. Bonds2

About 4-(4-methylphenyl)sulfonylpiperidine

4-(4-methylphenyl)sulfonylpiperidine (PubChem CID 2761095) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonylpiperidine
PubChem CID2761095
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name4-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)C2CCNCC2)cc1
InChIInChI=1S/C12H17NO2S/c1-10-2-4-11(5-3-10)16(14,15)12-6-8-13-9-7-12/h2-5,12-13H,6-9H2,1H3
InChIKeyPUMOKCFNAGLGPN-UHFFFAOYSA-N
XLogP1.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Piperidine, 1-(p-tolylsulfonyl)-
CID 78431
1-(4-Methylbenzenesulfonyl)piperazine
CID 704295
4-Benzenesulfonyl-1-(3-phenyl-propyl)-piperidine
CID 10871642
4-Benzenesulfonyl-1-phenethyl-piperidine
CID 10991121
2-N-Ethylamino-1-(4-ethylthiophenyl)propane
CID 44613452
1-[2-(Benzenesulfonyl)ethyl]-3-methylpiperidine
CID 2818768
3-[(4-methylphenyl)sulfonyl]-N-(2-phenylethyl)propanamide
CID 16392441
N-cyclohexyl-3-(4-methylphenyl)sulfonylpropanamide
CID 759090
7-(Prop-2-ene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline
CID 10588353
2-N-Ethylamino-1-(4-ethylthiophenyl)butane
CID 44613456
1-Cyclohexyl-4-{1-methyl-2-[(4-methylphenyl)sulfonyl]ethyl}piperazine
CID 3988625
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 4547646

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfonylpiperidine?
The IUPAC name of 4-(4-methylphenyl)sulfonylpiperidine (CID 2761095) is 4-(4-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-(4-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-(4-methylphenyl)sulfonylpiperidine is Cc1ccc(S(=O)(=O)C2CCNCC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)sulfonylpiperidine?
The InChIKey is PUMOKCFNAGLGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-10-2-4-11(5-3-10)16(14,15)12-6-8-13-9-7-12/h2-5,12-13H,6-9H2,1H3.
What are the key properties of 4-(4-methylphenyl)sulfonylpiperidine?
4-(4-methylphenyl)sulfonylpiperidine has a molecular weight of 239.34 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 2761095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).