(2-ethylsulfonyl-5-methylphenyl)-piperidin-4-ylmethanone

C15H21NO3S — CID 82551237

IUPAC(2-ethylsulfonyl-5-methylphenyl)-piperidin-4-ylmethanone
SMILESCCS(=O)(=O)c1ccc(C)cc1C(=O)C1CCNCC1
InChIInChI=1S/C15H21NO3S/c1-3-20(18,19)14-5-4-11(2)10-13(14)15(17)12-6-8-16-9-7-12/h4-5,10,12,16H,3,6-9H2,1-2H3
InChIKeyWTEVDVZESNYQNG-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.97
Rot. Bonds4

About (2-ethylsulfonyl-5-methylphenyl)-piperidin-4-ylmethanone

(2-ethylsulfonyl-5-methylphenyl)-piperidin-4-ylmethanone (PubChem CID 82551237) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is (2-ethylsulfonyl-5-methylphenyl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(2-ethylsulfonyl-5-methylphenyl)-piperidin-4-ylmethanone
PubChem CID82551237
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name(2-ethylsulfonyl-5-methylphenyl)-piperidin-4-ylmethanone
SMILESCCS(=O)(=O)c1ccc(C)cc1C(=O)C1CCNCC1
InChIInChI=1S/C15H21NO3S/c1-3-20(18,19)14-5-4-11(2)10-13(14)15(17)12-6-8-16-9-7-12/h4-5,10,12,16H,3,6-9H2,1-2H3
InChIKeyWTEVDVZESNYQNG-UHFFFAOYSA-N
XLogP1.97
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-ethylsulfonyl-5-methylphenyl)-piperidin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-ethylsulfanyl-5-methylphenyl)-piperidin-4-ylmethanone
CID 82553379
(2-ethoxy-5-methylphenyl)-piperidin-4-ylmethanone
CID 62302314
(2,5-dimethylphenyl)-pyrrolidin-3-ylmethanone
CID 116568434
(1,5-dimethylindol-3-yl)-piperidin-4-ylmethanone
CID 82499713
(5-tert-butyl-2-methylphenyl)-piperidin-4-ylmethanone
CID 82049671
(2-methoxyphenyl)-piperidin-4-ylmethanone
CID 20613843
(5-ethoxy-2-methoxyphenyl)-piperidin-4-ylmethanone
CID 82553003
2-(4-methylphenyl)-1-piperidin-4-ylethanone
CID 82079035
[2-methyl-4-(4-methylphenyl)sulfonyloxybutan-2-yl] piperidine-4-carboxylate
CID 87995700
N-ethyl-2,4-dimethyl-N-piperidin-4-ylbenzamide
CID 60807085
cyclopentyl-(2,4-dimethylphenyl)methanone
CID 24724166
cyclobutyl-(2,4-dimethylphenyl)methanone
CID 24724130

Frequently Asked Questions

What is the IUPAC name of (2-ethylsulfonyl-5-methylphenyl)-piperidin-4-ylmethanone?
The IUPAC name of (2-ethylsulfonyl-5-methylphenyl)-piperidin-4-ylmethanone (CID 82551237) is (2-ethylsulfonyl-5-methylphenyl)-piperidin-4-ylmethanone.
What is the SMILES notation for (2-ethylsulfonyl-5-methylphenyl)-piperidin-4-ylmethanone?
The canonical SMILES for (2-ethylsulfonyl-5-methylphenyl)-piperidin-4-ylmethanone is CCS(=O)(=O)c1ccc(C)cc1C(=O)C1CCNCC1.
What is the InChIKey of (2-ethylsulfonyl-5-methylphenyl)-piperidin-4-ylmethanone?
The InChIKey is WTEVDVZESNYQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-3-20(18,19)14-5-4-11(2)10-13(14)15(17)12-6-8-16-9-7-12/h4-5,10,12,16H,3,6-9H2,1-2H3.
What are the key properties of (2-ethylsulfonyl-5-methylphenyl)-piperidin-4-ylmethanone?
(2-ethylsulfonyl-5-methylphenyl)-piperidin-4-ylmethanone has a molecular weight of 295.40 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylsulfonyl-5-methylphenyl)-piperidin-4-ylmethanone is sourced from PubChem (CID 82551237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).