5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide

C19H29N3O3S — CID 119467939

IUPAC5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide
SMILESCc1ccc(C(=O)N2CCCCC2CN)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C19H29N3O3S/c1-14-9-10-15(19(23)22-11-5-4-8-17(22)13-20)12-18(14)26(24,25)21-16-6-2-3-7-16/h9-10,12,16-17,21H,2-8,11,13,20H2,1H3
InChIKeyNSNHVUBGVGVRII-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.17
Rot. Bonds5

About 5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide

5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide (PubChem CID 119467939) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide
PubChem CID119467939
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide
SMILESCc1ccc(C(=O)N2CCCCC2CN)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C19H29N3O3S/c1-14-9-10-15(19(23)22-11-5-4-8-17(22)13-20)12-18(14)26(24,25)21-16-6-2-3-7-16/h9-10,12,16-17,21H,2-8,11,13,20H2,1H3
InChIKeyNSNHVUBGVGVRII-UHFFFAOYSA-N
XLogP2.17
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide;hydrochloride
CID 119467938
5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide
CID 119632759
5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methoxybenzenesulfonamide
CID 119467121
5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-(4-fluorophenyl)-2-methylbenzenesulfonamide;hydrochloride
CID 119633999
3-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 119466674
N-cyclopentyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide
CID 146093151
N-cyclopentyl-2-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 119544817
N-[5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methylphenyl]methanesulfonamide
CID 119632504
5-[2-(aminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 119469135
5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide;hydrochloride
CID 119468592
[(2R)-2-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 124576129
4-[2-(aminomethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)benzenesulfonamide
CID 119468208

Frequently Asked Questions

What is the IUPAC name of 5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide?
The IUPAC name of 5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide (CID 119467939) is 5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide?
The canonical SMILES for 5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide is Cc1ccc(C(=O)N2CCCCC2CN)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of 5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide?
The InChIKey is NSNHVUBGVGVRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-14-9-10-15(19(23)22-11-5-4-8-17(22)13-20)12-18(14)26(24,25)21-16-6-2-3-7-16/h9-10,12,16-17,21H,2-8,11,13,20H2,1H3.
What are the key properties of 5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide?
5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide has a molecular weight of 379.53 g/mol, XLogP of 2.17, 5 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]-N-cyclopentyl-2-methylbenzenesulfonamide is sourced from PubChem (CID 119467939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).