2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide

C15H22N2O3S — CID 115671903

IUPAC2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCC(=O)N1CCCCC1
InChIInChI=1S/C15H22N2O3S/c1-13-7-3-4-8-14(13)21(19,20)16-10-9-15(18)17-11-5-2-6-12-17/h3-4,7-8,16H,2,5-6,9-12H2,1H3
InChIKeyVPYASQWKOMJAPZ-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.68
Rot. Bonds5

About 2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide

2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide (PubChem CID 115671903) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
PubChem CID115671903
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCC(=O)N1CCCCC1
InChIInChI=1S/C15H22N2O3S/c1-13-7-3-4-8-14(13)21(19,20)16-10-9-15(18)17-11-5-2-6-12-17/h3-4,7-8,16H,2,5-6,9-12H2,1H3
InChIKeyVPYASQWKOMJAPZ-UHFFFAOYSA-N
XLogP1.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-nitro-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 55873372
N-[3-(azepan-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
CID 9314922
N-[3-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-2-chlorobenzenesulfonamide
CID 55408215
4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17154059
1-(azepan-1-yl)-3-(2,6-dimethylanilino)propan-1-one
CID 109033510
2-methyl-N-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-3-yl]ethyl]benzenesulfonamide
CID 154817747
3-[1-(2-methylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 115707228
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 8868826
4-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 2236890
3-(2,3-dimethylanilino)-1-piperidin-1-ylpropan-1-one
CID 109013836
2-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 119403723
2,5-dibromo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 60629358

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide (CID 115671903) is 2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide is Cc1ccccc1S(=O)(=O)NCCC(=O)N1CCCCC1.
What is the InChIKey of 2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide?
The InChIKey is VPYASQWKOMJAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-13-7-3-4-8-14(13)21(19,20)16-10-9-15(18)17-11-5-2-6-12-17/h3-4,7-8,16H,2,5-6,9-12H2,1H3.
What are the key properties of 2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide?
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 115671903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).