3-(2,3-dimethylpiperidine-1-carbonyl)-4-methylbenzenesulfonamide

C15H22N2O3S — CID 62124684

IUPAC3-(2,3-dimethylpiperidine-1-carbonyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)N1CCCC(C)C1C
InChIInChI=1S/C15H22N2O3S/c1-10-5-4-8-17(12(10)3)15(18)14-9-13(21(16,19)20)7-6-11(14)2/h6-7,9-10,12H,4-5,8H2,1-3H3,(H2,16,19,20)
InChIKeyYRBMYVWWAJRKOU-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.90
Rot. Bonds2

About 3-(2,3-dimethylpiperidine-1-carbonyl)-4-methylbenzenesulfonamide

3-(2,3-dimethylpiperidine-1-carbonyl)-4-methylbenzenesulfonamide (PubChem CID 62124684) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-(2,3-dimethylpiperidine-1-carbonyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(2,3-dimethylpiperidine-1-carbonyl)-4-methylbenzenesulfonamide
PubChem CID62124684
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name3-(2,3-dimethylpiperidine-1-carbonyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)N1CCCC(C)C1C
InChIInChI=1S/C15H22N2O3S/c1-10-5-4-8-17(12(10)3)15(18)14-9-13(21(16,19)20)7-6-11(14)2/h6-7,9-10,12H,4-5,8H2,1-3H3,(H2,16,19,20)
InChIKeyYRBMYVWWAJRKOU-UHFFFAOYSA-N
XLogP1.90
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,3-dimethylpiperidine-1-carbonyl)-4-methylbenzenesulfonamide 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

(5-bromo-2-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 65309438
4-methyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 60635809
5-(2,3-dimethylpiperidine-1-carbonyl)-2-methylbenzenesulfonamide
CID 65386146
4-chloro-3-(2,3-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65397198
3-(3,4-dimethylpyrrolidine-1-carbonyl)-4-methylbenzenesulfonamide
CID 79036562
4-chloro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 65376127
(5-amino-2-bromophenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62122988
4-methyl-3-[(2R)-2-methyl-1,4-oxazepane-4-carbonyl]benzenesulfonamide
CID 124606077
(2,3-dimethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone
CID 62122713
(4-amino-3-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62123341
(2S)-1-(2-methyl-5-pyrrolidin-1-ylsulfonylbenzoyl)pyrrolidine-2-carboxylic acid
CID 41273099
(2-amino-5-chlorophenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62123342

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylpiperidine-1-carbonyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-(2,3-dimethylpiperidine-1-carbonyl)-4-methylbenzenesulfonamide (CID 62124684) is 3-(2,3-dimethylpiperidine-1-carbonyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-(2,3-dimethylpiperidine-1-carbonyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-(2,3-dimethylpiperidine-1-carbonyl)-4-methylbenzenesulfonamide is Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCCC(C)C1C.
What is the InChIKey of 3-(2,3-dimethylpiperidine-1-carbonyl)-4-methylbenzenesulfonamide?
The InChIKey is YRBMYVWWAJRKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10-5-4-8-17(12(10)3)15(18)14-9-13(21(16,19)20)7-6-11(14)2/h6-7,9-10,12H,4-5,8H2,1-3H3,(H2,16,19,20).
What are the key properties of 3-(2,3-dimethylpiperidine-1-carbonyl)-4-methylbenzenesulfonamide?
3-(2,3-dimethylpiperidine-1-carbonyl)-4-methylbenzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylpiperidine-1-carbonyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 62124684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).