1-(2,3,4-trimethylphenyl)sulfonylpiperidine-4-carboxamide

C15H22N2O3S — CID 975257

IUPAC1-(2,3,4-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C)c1C
InChIInChI=1S/C15H22N2O3S/c1-10-4-5-14(12(3)11(10)2)21(19,20)17-8-6-13(7-9-17)15(16)18/h4-5,13H,6-9H2,1-3H3,(H2,16,18)
InChIKeyXZYZUJXASVBPJT-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.50
Rot. Bonds3

About 1-(2,3,4-trimethylphenyl)sulfonylpiperidine-4-carboxamide

1-(2,3,4-trimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 975257) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-(2,3,4-trimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,3,4-trimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID975257
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-(2,3,4-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C)c1C
InChIInChI=1S/C15H22N2O3S/c1-10-4-5-14(12(3)11(10)2)21(19,20)17-8-6-13(7-9-17)15(16)18/h4-5,13H,6-9H2,1-3H3,(H2,16,18)
InChIKeyXZYZUJXASVBPJT-UHFFFAOYSA-N
XLogP1.50
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Cycloheptyl-1-[(2,4,6-Trimethylphenyl)sulfonyl]piperidine-4-Carboxamide
CID 2110176
N-cyclohexyl-1-[(2,4,6-trimethylphenyl)sulfonyl]piperidine-4-carboxamide
CID 1090889
N-cyclohexyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 17486918
N-(cyclohexylmethyl)-1-(2,4-dimethylbenzenesulfonyl)piperidine-4-carboxamide
CID 24241093
N-cyclooctyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26413325
N-cyclopentyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26697387
N-Cycloheptyl-1-((2,4-dimethylphenyl)sulfonyl)piperidine-4-carboxamide
CID 26711777
N-(cyclohexylmethyl)-1-(mesitylsulfonyl)piperidine-4-carboxamide
CID 30726432
N-cyclopentyl-1-(2,4,6-trimethylbenzenesulfonyl)piperidine-4-carboxamide
CID 1090888
N-isopentyl-1-(mesitylsulfonyl)piperidine-4-carboxamide
CID 2207161
1-(2,4,5-Trimethyl-benzenesulfonyl)-piperidine-4-carboxylic acid amide
CID 3152853
(3,5-Dimethylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 17461622

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,3,4-trimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 975257) is 1-(2,3,4-trimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,3,4-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,3,4-trimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C)c1C.
What is the InChIKey of 1-(2,3,4-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is XZYZUJXASVBPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10-4-5-14(12(3)11(10)2)21(19,20)17-8-6-13(7-9-17)15(16)18/h4-5,13H,6-9H2,1-3H3,(H2,16,18).
What are the key properties of 1-(2,3,4-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
1-(2,3,4-trimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4-trimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 975257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).