3-(3-methylsulfonylphenyl)piperidine

C12H17NO2S — CID 10890006

IUPAC3-(3-methylsulfonylphenyl)piperidine
SMILESCS(=O)(=O)c1cccc(C2CCCNC2)c1
InChIInChI=1S/C12H17NO2S/c1-16(14,15)12-6-2-4-10(8-12)11-5-3-7-13-9-11/h2,4,6,8,11,13H,3,5,7,9H2,1H3
InChIKeyKMVLMAUQHRUFDO-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.56
Rot. Bonds2

About 3-(3-methylsulfonylphenyl)piperidine

3-(3-methylsulfonylphenyl)piperidine (PubChem CID 10890006) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-(3-methylsulfonylphenyl)piperidine.

Molecular Properties

Compound Name3-(3-methylsulfonylphenyl)piperidine
PubChem CID10890006
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name3-(3-methylsulfonylphenyl)piperidine
SMILESCS(=O)(=O)c1cccc(C2CCCNC2)c1
InChIInChI=1S/C12H17NO2S/c1-16(14,15)12-6-2-4-10(8-12)11-5-3-7-13-9-11/h2,4,6,8,11,13H,3,5,7,9H2,1H3
InChIKeyKMVLMAUQHRUFDO-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylsulfonylphenyl)piperidine?
The IUPAC name of 3-(3-methylsulfonylphenyl)piperidine (CID 10890006) is 3-(3-methylsulfonylphenyl)piperidine.
What is the SMILES notation for 3-(3-methylsulfonylphenyl)piperidine?
The canonical SMILES for 3-(3-methylsulfonylphenyl)piperidine is CS(=O)(=O)c1cccc(C2CCCNC2)c1.
What is the InChIKey of 3-(3-methylsulfonylphenyl)piperidine?
The InChIKey is KMVLMAUQHRUFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-16(14,15)12-6-2-4-10(8-12)11-5-3-7-13-9-11/h2,4,6,8,11,13H,3,5,7,9H2,1H3.
What are the key properties of 3-(3-methylsulfonylphenyl)piperidine?
3-(3-methylsulfonylphenyl)piperidine has a molecular weight of 239.34 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylsulfonylphenyl)piperidine is sourced from PubChem (CID 10890006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).