2-(4-ethylsulfonylphenyl)piperidine

C13H19NO2S — CID 82481836

IUPAC2-(4-ethylsulfonylphenyl)piperidine
SMILESCCS(=O)(=O)c1ccc(C2CCCCN2)cc1
InChIInChI=1S/C13H19NO2S/c1-2-17(15,16)12-8-6-11(7-9-12)13-5-3-4-10-14-13/h6-9,13-14H,2-5,10H2,1H3
InChIKeyGIPUNFFLPNOQSE-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.29
Rot. Bonds3

About 2-(4-ethylsulfonylphenyl)piperidine

2-(4-ethylsulfonylphenyl)piperidine (PubChem CID 82481836) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)piperidine.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)piperidine
PubChem CID82481836
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-(4-ethylsulfonylphenyl)piperidine
SMILESCCS(=O)(=O)c1ccc(C2CCCCN2)cc1
InChIInChI=1S/C13H19NO2S/c1-2-17(15,16)12-8-6-11(7-9-12)13-5-3-4-10-14-13/h6-9,13-14H,2-5,10H2,1H3
InChIKeyGIPUNFFLPNOQSE-UHFFFAOYSA-N
XLogP2.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylphenyl)piperidine?
The IUPAC name of 2-(4-ethylsulfonylphenyl)piperidine (CID 82481836) is 2-(4-ethylsulfonylphenyl)piperidine.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)piperidine?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)piperidine is CCS(=O)(=O)c1ccc(C2CCCCN2)cc1.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)piperidine?
The InChIKey is GIPUNFFLPNOQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-2-17(15,16)12-8-6-11(7-9-12)13-5-3-4-10-14-13/h6-9,13-14H,2-5,10H2,1H3.
What are the key properties of 2-(4-ethylsulfonylphenyl)piperidine?
2-(4-ethylsulfonylphenyl)piperidine has a molecular weight of 253.37 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylphenyl)piperidine is sourced from PubChem (CID 82481836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).