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

C19H29N3O4S — CID 119467121

IUPAC5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methoxybenzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCCCC2CN)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C19H29N3O4S/c1-26-17-10-9-14(19(23)22-11-5-4-8-16(22)13-20)12-18(17)27(24,25)21-15-6-2-3-7-15/h9-10,12,15-16,21H,2-8,11,13,20H2,1H3
InChIKeyDREOMLDJFMMLGU-UHFFFAOYSA-N
MW395.53 g/mol
LogP1.87
Rot. Bonds6

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

5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methoxybenzenesulfonamide (PubChem CID 119467121) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is 5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methoxybenzenesulfonamide
PubChem CID119467121
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Name5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methoxybenzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCCCC2CN)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C19H29N3O4S/c1-26-17-10-9-14(19(23)22-11-5-4-8-16(22)13-20)12-18(17)27(24,25)21-15-6-2-3-7-15/h9-10,12,15-16,21H,2-8,11,13,20H2,1H3
InChIKeyDREOMLDJFMMLGU-UHFFFAOYSA-N
XLogP1.87
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide;hydrochloride
CID 119468592
5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide
CID 119467939
5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide;hydrochloride
CID 119467938
5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 119631942
5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide
CID 119632759
N-cyclopentyl-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 4060589
N-cyclopentyl-2-methoxy-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]benzenesulfonamide
CID 55898155
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 17439024
[2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 63753428
[2-(aminomethyl)piperidin-1-yl]-(4-cyclopentyloxy-3-methoxyphenyl)methanone;hydrochloride
CID 119467821
[2-(aminomethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride
CID 119468153
N-cyclopentyl-5-(2,3-dimethylpiperazine-1-carbonyl)-2-methoxybenzenesulfonamide
CID 120572231

Frequently Asked Questions

What is the IUPAC name of 5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methoxybenzenesulfonamide?
The IUPAC name of 5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methoxybenzenesulfonamide (CID 119467121) is 5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methoxybenzenesulfonamide is COc1ccc(C(=O)N2CCCCC2CN)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of 5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methoxybenzenesulfonamide?
The InChIKey is DREOMLDJFMMLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-26-17-10-9-14(19(23)22-11-5-4-8-16(22)13-20)12-18(17)27(24,25)21-15-6-2-3-7-15/h9-10,12,15-16,21H,2-8,11,13,20H2,1H3.
What are the key properties of 5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methoxybenzenesulfonamide?
5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methoxybenzenesulfonamide has a molecular weight of 395.53 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methoxybenzenesulfonamide is sourced from PubChem (CID 119467121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).