3-(2-methylsulfonylphenyl)piperidine

C12H17NO2S — CID 82388241

IUPAC3-(2-methylsulfonylphenyl)piperidine
SMILESCS(=O)(=O)c1ccccc1C1CCCNC1
InChIInChI=1S/C12H17NO2S/c1-16(14,15)12-7-3-2-6-11(12)10-5-4-8-13-9-10/h2-3,6-7,10,13H,4-5,8-9H2,1H3
InChIKeyRVFZVTNZFXDHEO-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.56
Rot. Bonds2

About 3-(2-methylsulfonylphenyl)piperidine

3-(2-methylsulfonylphenyl)piperidine (PubChem CID 82388241) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-(2-methylsulfonylphenyl)piperidine.

Molecular Properties

Compound Name3-(2-methylsulfonylphenyl)piperidine
PubChem CID82388241
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name3-(2-methylsulfonylphenyl)piperidine
SMILESCS(=O)(=O)c1ccccc1C1CCCNC1
InChIInChI=1S/C12H17NO2S/c1-16(14,15)12-7-3-2-6-11(12)10-5-4-8-13-9-10/h2-3,6-7,10,13H,4-5,8-9H2,1H3
InChIKeyRVFZVTNZFXDHEO-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-(2-methylsulfonylphenyl)piperidine?
The IUPAC name of 3-(2-methylsulfonylphenyl)piperidine (CID 82388241) is 3-(2-methylsulfonylphenyl)piperidine.
What is the SMILES notation for 3-(2-methylsulfonylphenyl)piperidine?
The canonical SMILES for 3-(2-methylsulfonylphenyl)piperidine is CS(=O)(=O)c1ccccc1C1CCCNC1.
What is the InChIKey of 3-(2-methylsulfonylphenyl)piperidine?
The InChIKey is RVFZVTNZFXDHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-16(14,15)12-7-3-2-6-11(12)10-5-4-8-13-9-10/h2-3,6-7,10,13H,4-5,8-9H2,1H3.
What are the key properties of 3-(2-methylsulfonylphenyl)piperidine?
3-(2-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-(2-methylsulfonylphenyl)piperidine is sourced from PubChem (CID 82388241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).