4-[2-(4-methylphenyl)sulfonylethyl]piperidine

C14H21NO2S — CID 57152094

IUPAC4-[2-(4-methylphenyl)sulfonylethyl]piperidine
SMILESCc1ccc(S(=O)(=O)CCC2CCNCC2)cc1
InChIInChI=1S/C14H21NO2S/c1-12-2-4-14(5-3-12)18(16,17)11-8-13-6-9-15-10-7-13/h2-5,13,15H,6-11H2,1H3
InChIKeyYBSQLSHDLKBTSK-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.16
Rot. Bonds4

About 4-[2-(4-methylphenyl)sulfonylethyl]piperidine

4-[2-(4-methylphenyl)sulfonylethyl]piperidine (PubChem CID 57152094) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 4-[2-(4-methylphenyl)sulfonylethyl]piperidine.

Molecular Properties

Compound Name4-[2-(4-methylphenyl)sulfonylethyl]piperidine
PubChem CID57152094
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name4-[2-(4-methylphenyl)sulfonylethyl]piperidine
SMILESCc1ccc(S(=O)(=O)CCC2CCNCC2)cc1
InChIInChI=1S/C14H21NO2S/c1-12-2-4-14(5-3-12)18(16,17)11-8-13-6-9-15-10-7-13/h2-5,13,15H,6-11H2,1H3
InChIKeyYBSQLSHDLKBTSK-UHFFFAOYSA-N
XLogP2.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenyl)sulfonylethyl]piperidine?
The IUPAC name of 4-[2-(4-methylphenyl)sulfonylethyl]piperidine (CID 57152094) is 4-[2-(4-methylphenyl)sulfonylethyl]piperidine.
What is the SMILES notation for 4-[2-(4-methylphenyl)sulfonylethyl]piperidine?
The canonical SMILES for 4-[2-(4-methylphenyl)sulfonylethyl]piperidine is Cc1ccc(S(=O)(=O)CCC2CCNCC2)cc1.
What is the InChIKey of 4-[2-(4-methylphenyl)sulfonylethyl]piperidine?
The InChIKey is YBSQLSHDLKBTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-12-2-4-14(5-3-12)18(16,17)11-8-13-6-9-15-10-7-13/h2-5,13,15H,6-11H2,1H3.
What are the key properties of 4-[2-(4-methylphenyl)sulfonylethyl]piperidine?
4-[2-(4-methylphenyl)sulfonylethyl]piperidine has a molecular weight of 267.39 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenyl)sulfonylethyl]piperidine is sourced from PubChem (CID 57152094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).