5-[2-(aminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide

C15H23N3O3S — CID 119469135

IUPAC5-[2-(aminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(C(=O)N2CCCCC2CN)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C15H23N3O3S/c1-10-7-12(8-14(11(10)2)22(17,20)21)15(19)18-6-4-3-5-13(18)9-16/h7-8,13H,3-6,9,16H2,1-2H3,(H2,17,20,21)
InChIKeyPDXBDQJUBWPBRF-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.90
Rot. Bonds3

About 5-[2-(aminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide

5-[2-(aminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide (PubChem CID 119469135) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 5-[2-(aminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[2-(aminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
PubChem CID119469135
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name5-[2-(aminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(C(=O)N2CCCCC2CN)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C15H23N3O3S/c1-10-7-12(8-14(11(10)2)22(17,20)21)15(19)18-6-4-3-5-13(18)9-16/h7-8,13H,3-6,9,16H2,1-2H3,(H2,17,20,21)
InChIKeyPDXBDQJUBWPBRF-UHFFFAOYSA-N
XLogP0.90
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119651546
2,3-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47109363
5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-methylthiophene-3-sulfonamide
CID 125420015
5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 119486602
5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide
CID 119467939
[(2R)-2-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 124576129
[2-(aminomethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone
CID 119469301
5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide;hydrochloride
CID 119467938
5-[(2R)-2-ethylpiperidine-1-carbonyl]-2,4-dimethylbenzenesulfonamide
CID 95382756
5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide
CID 119632759
5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 119412777
1-(3,4-dimethyl-5-sulfamoylbenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122114271

Frequently Asked Questions

What is the IUPAC name of 5-[2-(aminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 5-[2-(aminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide (CID 119469135) is 5-[2-(aminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-[2-(aminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 5-[2-(aminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide is Cc1cc(C(=O)N2CCCCC2CN)cc(S(N)(=O)=O)c1C.
What is the InChIKey of 5-[2-(aminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide?
The InChIKey is PDXBDQJUBWPBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-10-7-12(8-14(11(10)2)22(17,20)21)15(19)18-6-4-3-5-13(18)9-16/h7-8,13H,3-6,9,16H2,1-2H3,(H2,17,20,21).
What are the key properties of 5-[2-(aminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide?
5-[2-(aminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide has a molecular weight of 325.43 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(aminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 119469135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).