4-benzylidene-1-(2-methylsulfonylethyl)piperidine

C15H21NO2S — CID 71861800

IUPAC4-benzylidene-1-(2-methylsulfonylethyl)piperidine
SMILESCS(=O)(=O)CCN1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C15H21NO2S/c1-19(17,18)12-11-16-9-7-15(8-10-16)13-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3
InChIKeyKKOYOVJYAPEBJA-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.21
Rot. Bonds4

About 4-benzylidene-1-(2-methylsulfonylethyl)piperidine

4-benzylidene-1-(2-methylsulfonylethyl)piperidine (PubChem CID 71861800) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 4-benzylidene-1-(2-methylsulfonylethyl)piperidine.

Molecular Properties

Compound Name4-benzylidene-1-(2-methylsulfonylethyl)piperidine
PubChem CID71861800
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name4-benzylidene-1-(2-methylsulfonylethyl)piperidine
SMILESCS(=O)(=O)CCN1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C15H21NO2S/c1-19(17,18)12-11-16-9-7-15(8-10-16)13-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3
InChIKeyKKOYOVJYAPEBJA-UHFFFAOYSA-N
XLogP2.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzylidene-1-(2-methylsulfonylethyl)piperidine?
The IUPAC name of 4-benzylidene-1-(2-methylsulfonylethyl)piperidine (CID 71861800) is 4-benzylidene-1-(2-methylsulfonylethyl)piperidine.
What is the SMILES notation for 4-benzylidene-1-(2-methylsulfonylethyl)piperidine?
The canonical SMILES for 4-benzylidene-1-(2-methylsulfonylethyl)piperidine is CS(=O)(=O)CCN1CCC(=Cc2ccccc2)CC1.
What is the InChIKey of 4-benzylidene-1-(2-methylsulfonylethyl)piperidine?
The InChIKey is KKOYOVJYAPEBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-19(17,18)12-11-16-9-7-15(8-10-16)13-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3.
What are the key properties of 4-benzylidene-1-(2-methylsulfonylethyl)piperidine?
4-benzylidene-1-(2-methylsulfonylethyl)piperidine has a molecular weight of 279.40 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylidene-1-(2-methylsulfonylethyl)piperidine is sourced from PubChem (CID 71861800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).