5-(2,3-dimethylpiperidine-1-carbonyl)-2-methylbenzenesulfonamide

C15H22N2O3S — CID 65386146

IUPAC5-(2,3-dimethylpiperidine-1-carbonyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(C(=O)N2CCCC(C)C2C)cc1S(N)(=O)=O
InChIInChI=1S/C15H22N2O3S/c1-10-5-4-8-17(12(10)3)15(18)13-7-6-11(2)14(9-13)21(16,19)20/h6-7,9-10,12H,4-5,8H2,1-3H3,(H2,16,19,20)
InChIKeyDZNBPNSXGWHZQO-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.90
Rot. Bonds2

About 5-(2,3-dimethylpiperidine-1-carbonyl)-2-methylbenzenesulfonamide

5-(2,3-dimethylpiperidine-1-carbonyl)-2-methylbenzenesulfonamide (PubChem CID 65386146) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 5-(2,3-dimethylpiperidine-1-carbonyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(2,3-dimethylpiperidine-1-carbonyl)-2-methylbenzenesulfonamide
PubChem CID65386146
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name5-(2,3-dimethylpiperidine-1-carbonyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(C(=O)N2CCCC(C)C2C)cc1S(N)(=O)=O
InChIInChI=1S/C15H22N2O3S/c1-10-5-4-8-17(12(10)3)15(18)13-7-6-11(2)14(9-13)21(16,19)20/h6-7,9-10,12H,4-5,8H2,1-3H3,(H2,16,19,20)
InChIKeyDZNBPNSXGWHZQO-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

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Related Compounds

(4-amino-3-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62123341
3-(2,3-dimethylpiperidine-1-carbonyl)-4-methylbenzenesulfonamide
CID 62124684
2-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 60637659
5-[2-(4-methoxyphenyl)azepane-1-carbonyl]-2-methylbenzenesulfonamide
CID 78825743
(2,3-dimethylpiperidin-1-yl)-[4-(propylamino)phenyl]methanone
CID 62179694
(2-methylcyclohexyl) 4-methyl-3-sulfamoylbenzoate
CID 65380249
(5-bromo-2-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 65309438
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-methyl-3-methylsulfonylphenyl)methanone
CID 124569319
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-methyl-3-methylsulfonylphenyl)methanone
CID 124569318
(5-amino-2-bromophenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62122988
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 95357681
5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide
CID 119632759

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylpiperidine-1-carbonyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-(2,3-dimethylpiperidine-1-carbonyl)-2-methylbenzenesulfonamide (CID 65386146) is 5-(2,3-dimethylpiperidine-1-carbonyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(2,3-dimethylpiperidine-1-carbonyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(2,3-dimethylpiperidine-1-carbonyl)-2-methylbenzenesulfonamide is Cc1ccc(C(=O)N2CCCC(C)C2C)cc1S(N)(=O)=O.
What is the InChIKey of 5-(2,3-dimethylpiperidine-1-carbonyl)-2-methylbenzenesulfonamide?
The InChIKey is DZNBPNSXGWHZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10-5-4-8-17(12(10)3)15(18)13-7-6-11(2)14(9-13)21(16,19)20/h6-7,9-10,12H,4-5,8H2,1-3H3,(H2,16,19,20).
What are the key properties of 5-(2,3-dimethylpiperidine-1-carbonyl)-2-methylbenzenesulfonamide?
5-(2,3-dimethylpiperidine-1-carbonyl)-2-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 5-(2,3-dimethylpiperidine-1-carbonyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 65386146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).