2-(4-methylphenyl)sulfonyl-1-piperidin-1-ylethanone

C14H19NO3S — CID 56731899

IUPAC2-(4-methylphenyl)sulfonyl-1-piperidin-1-ylethanone
SMILESCc1ccc(S(=O)(=O)CC(=O)N2CCCCC2)cc1
InChIInChI=1S/C14H19NO3S/c1-12-5-7-13(8-6-12)19(17,18)11-14(16)15-9-3-2-4-10-15/h5-8H,2-4,9-11H2,1H3
InChIKeyBOAFHXVYBFWTQV-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.78
Rot. Bonds3

About 2-(4-methylphenyl)sulfonyl-1-piperidin-1-ylethanone

2-(4-methylphenyl)sulfonyl-1-piperidin-1-ylethanone (PubChem CID 56731899) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-1-piperidin-1-ylethanone
PubChem CID56731899
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name2-(4-methylphenyl)sulfonyl-1-piperidin-1-ylethanone
SMILESCc1ccc(S(=O)(=O)CC(=O)N2CCCCC2)cc1
InChIInChI=1S/C14H19NO3S/c1-12-5-7-13(8-6-12)19(17,18)11-14(16)15-9-3-2-4-10-15/h5-8H,2-4,9-11H2,1H3
InChIKeyBOAFHXVYBFWTQV-UHFFFAOYSA-N
XLogP1.78
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-methylphenyl)sulfonyl-1-piperidin-1-ylethanone 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

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylethanone
CID 6459911
N-[3-(azepan-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
CID 9314922
2-naphthalen-2-ylsulfonyl-1-pyrrolidin-1-ylethanone
CID 851310
N-(4-methylphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboxamide
CID 43995378
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-1-pyrrolidin-1-ylethanone
CID 5110109
4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17154059
2-[(4-methylphenyl)sulfonylamino]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 9035264
1-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylethanone
CID 41116653
1-[3-(4-methylphenyl)sulfonylpropanoyl]piperidine-3-carboxamide
CID 78784819
1-(4-methylphenyl)sulfonyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 110747288
2-(4-chlorophenyl)sulfonyl-1-(3-methylpiperidin-1-yl)ethanone
CID 112779660
1-(azepan-1-yl)-2-[[4-ethyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 23407474

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-1-piperidin-1-ylethanone?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-1-piperidin-1-ylethanone (CID 56731899) is 2-(4-methylphenyl)sulfonyl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-1-piperidin-1-ylethanone is Cc1ccc(S(=O)(=O)CC(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-1-piperidin-1-ylethanone?
The InChIKey is BOAFHXVYBFWTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-12-5-7-13(8-6-12)19(17,18)11-14(16)15-9-3-2-4-10-15/h5-8H,2-4,9-11H2,1H3.
What are the key properties of 2-(4-methylphenyl)sulfonyl-1-piperidin-1-ylethanone?
2-(4-methylphenyl)sulfonyl-1-piperidin-1-ylethanone has a molecular weight of 281.38 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 56731899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).