2-(2-acetylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide

C15H22N2O3S — CID 63846379

IUPAC2-(2-acetylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide
SMILESCC(=O)C1CCCCN1c1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C15H22N2O3S/c1-12(18)13-8-6-7-11-17(13)14-9-4-5-10-15(14)21(19,20)16(2)3/h4-5,9-10,13H,6-8,11H2,1-3H3
InChIKeyULGOLTRJKBEWEC-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.88
Rot. Bonds4

About 2-(2-acetylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide

2-(2-acetylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide (PubChem CID 63846379) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-(2-acetylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-(2-acetylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide
PubChem CID63846379
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-(2-acetylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide
SMILESCC(=O)C1CCCCN1c1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C15H22N2O3S/c1-12(18)13-8-6-7-11-17(13)14-9-4-5-10-15(14)21(19,20)16(2)3/h4-5,9-10,13H,6-8,11H2,1-3H3
InChIKeyULGOLTRJKBEWEC-UHFFFAOYSA-N
XLogP1.88
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)azepan-1-yl]-N,N-dimethylbenzenesulfonamide
CID 116640203
2-[2-(chloromethyl)piperidin-1-yl]-N,N-dimethylbenzenesulfonamide
CID 63392117
1-[2-(difluoromethylsulfonyl)phenyl]piperidine-2-carboxylic acid
CID 43455346
1-(1-quinolin-4-ylpiperidin-2-yl)ethanone
CID 55258345
methyl 1-[2-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxylate
CID 62006621
ethyl 1-(2-ethylsulfonylphenyl)pyrrolidine-2-carboxylate
CID 62006305
2-amino-3-(azepan-1-yl)-N,N-dimethylbenzenesulfonamide
CID 107115405
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylbenzenesulfonamide
CID 115966620
2-[4-(bromomethyl)piperidin-1-yl]-N,N-dimethylbenzenesulfonamide
CID 80668840
1-[2-(dimethylsulfamoyl)phenyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721572
1-(2-amino-3-sulfamoylphenyl)-N-methylpiperidine-2-carboxamide
CID 115992520
2-(2,5-dimethylpiperazin-1-yl)-N,N-dimethylbenzenesulfonamide
CID 64983289

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-(2-acetylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide (CID 63846379) is 2-(2-acetylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-(2-acetylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-(2-acetylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide is CC(=O)C1CCCCN1c1ccccc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-(2-acetylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is ULGOLTRJKBEWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-12(18)13-8-6-7-11-17(13)14-9-4-5-10-15(14)21(19,20)16(2)3/h4-5,9-10,13H,6-8,11H2,1-3H3.
What are the key properties of 2-(2-acetylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide?
2-(2-acetylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 63846379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).