4-(3-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide;hydrochloride

C14H22ClN3O4S2 — CID 119959773

IUPAC4-(3-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide;hydrochloride
SMILESCl.NC1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1
InChIInChI=1S/C14H21N3O4S2.ClH/c15-11-2-1-9-17(10-11)23(20,21)14-7-5-13(6-8-14)22(18,19)16-12-3-4-12;/h5-8,11-12,16H,1-4,9-10,15H2;1H
InChIKeyNAIHRZALZSZJEH-UHFFFAOYSA-N
MW395.93 g/mol
LogP0.66
Rot. Bonds5

About 4-(3-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide;hydrochloride

4-(3-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide;hydrochloride (PubChem CID 119959773) has the molecular formula C14H22ClN3O4S2 and a molecular weight of 395.93 g/mol. Its IUPAC name is 4-(3-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(3-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide;hydrochloride
PubChem CID119959773
Molecular FormulaC14H22ClN3O4S2
Molecular Weight395.93 g/mol
Exact Mass395.07
IUPAC Name4-(3-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide;hydrochloride
SMILESCl.NC1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1
InChIInChI=1S/C14H21N3O4S2.ClH/c15-11-2-1-9-17(10-11)23(20,21)14-7-5-13(6-8-14)22(18,19)16-12-3-4-12;/h5-8,11-12,16H,1-4,9-10,15H2;1H
InChIKeyNAIHRZALZSZJEH-UHFFFAOYSA-N
XLogP0.66
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-aminopiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide
CID 43605483
4-(4-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide
CID 119959258
4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide
CID 1167072
1-(4-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959888
4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide;hydrochloride
CID 120999160
4-(3-aminopiperidine-1-carbonyl)-N-cyclopropylbenzenesulfonamide
CID 119379774
1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-amine
CID 43605511
1-[4-(2,2,2-trifluoroethyl)phenyl]sulfonylpiperidin-3-amine;hydrochloride
CID 120706026
N-cyclopropyl-4-piperazin-1-ylsulfonylbenzenesulfonamide
CID 119961776
N-cyclopropyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenesulfonamide
CID 7130388
5-(3-aminopiperidin-1-yl)sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 119959710
(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962425

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-(3-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide;hydrochloride (CID 119959773) is 4-(3-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-(3-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-(3-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide;hydrochloride is Cl.NC1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1.
What is the InChIKey of 4-(3-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide;hydrochloride?
The InChIKey is NAIHRZALZSZJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S2.ClH/c15-11-2-1-9-17(10-11)23(20,21)14-7-5-13(6-8-14)22(18,19)16-12-3-4-12;/h5-8,11-12,16H,1-4,9-10,15H2;1H.
What are the key properties of 4-(3-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide;hydrochloride?
4-(3-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide;hydrochloride has a molecular weight of 395.93 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119959773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).