4-(3-aminopiperidine-1-carbonyl)-N-cyclopropylbenzenesulfonamide

C15H21N3O3S — CID 119379774

IUPAC4-(3-aminopiperidine-1-carbonyl)-N-cyclopropylbenzenesulfonamide
SMILESNC1CCCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1
InChIInChI=1S/C15H21N3O3S/c16-12-2-1-9-18(10-12)15(19)11-3-7-14(8-4-11)22(20,21)17-13-5-6-13/h3-4,7-8,12-13,17H,1-2,5-6,9-10,16H2
InChIKeyKCTXAEPLLUZKNK-UHFFFAOYSA-N
MW323.42 g/mol
LogP0.69
Rot. Bonds4

About 4-(3-aminopiperidine-1-carbonyl)-N-cyclopropylbenzenesulfonamide

4-(3-aminopiperidine-1-carbonyl)-N-cyclopropylbenzenesulfonamide (PubChem CID 119379774) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 4-(3-aminopiperidine-1-carbonyl)-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-aminopiperidine-1-carbonyl)-N-cyclopropylbenzenesulfonamide
PubChem CID119379774
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name4-(3-aminopiperidine-1-carbonyl)-N-cyclopropylbenzenesulfonamide
SMILESNC1CCCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1
InChIInChI=1S/C15H21N3O3S/c16-12-2-1-9-18(10-12)15(19)11-3-7-14(8-4-11)22(20,21)17-13-5-6-13/h3-4,7-8,12-13,17H,1-2,5-6,9-10,16H2
InChIKeyKCTXAEPLLUZKNK-UHFFFAOYSA-N
XLogP0.69
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 119411623
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 119380917
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119380916
4-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 119380159
4-(3-aminopiperidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide
CID 119378363
N-(2-aminoethyl)-1-[4-(cyclopropylsulfamoyl)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119481027
4-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119379182
4-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide;hydrochloride
CID 119381064
4-(3-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide;hydrochloride
CID 119959773
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopentylbenzenesulfonamide;hydrochloride
CID 119409335
(3-aminopiperidin-1-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone;hydrochloride
CID 119377173
4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 120659862

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopiperidine-1-carbonyl)-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 4-(3-aminopiperidine-1-carbonyl)-N-cyclopropylbenzenesulfonamide (CID 119379774) is 4-(3-aminopiperidine-1-carbonyl)-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 4-(3-aminopiperidine-1-carbonyl)-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 4-(3-aminopiperidine-1-carbonyl)-N-cyclopropylbenzenesulfonamide is NC1CCCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1.
What is the InChIKey of 4-(3-aminopiperidine-1-carbonyl)-N-cyclopropylbenzenesulfonamide?
The InChIKey is KCTXAEPLLUZKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c16-12-2-1-9-18(10-12)15(19)11-3-7-14(8-4-11)22(20,21)17-13-5-6-13/h3-4,7-8,12-13,17H,1-2,5-6,9-10,16H2.
What are the key properties of 4-(3-aminopiperidine-1-carbonyl)-N-cyclopropylbenzenesulfonamide?
4-(3-aminopiperidine-1-carbonyl)-N-cyclopropylbenzenesulfonamide has a molecular weight of 323.42 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopiperidine-1-carbonyl)-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 119379774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).