4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide

C15H23N3O3S — CID 119380917

IUPAC4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCCC(N)C2)cc1
InChIInChI=1S/C15H23N3O3S/c1-11(2)17-22(20,21)14-7-5-12(6-8-14)15(19)18-9-3-4-13(16)10-18/h5-8,11,13,17H,3-4,9-10,16H2,1-2H3
InChIKeyHSFVKPKKNFFDMX-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.94
Rot. Bonds4

About 4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide

4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 119380917) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID119380917
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCCC(N)C2)cc1
InChIInChI=1S/C15H23N3O3S/c1-11(2)17-22(20,21)14-7-5-12(6-8-14)15(19)18-9-3-4-13(16)10-18/h5-8,11,13,17H,3-4,9-10,16H2,1-2H3
InChIKeyHSFVKPKKNFFDMX-UHFFFAOYSA-N
XLogP0.94
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119380916
4-(3-aminopiperidine-1-carbonyl)-N-cyclopropylbenzenesulfonamide
CID 119379774
4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 66260464
4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119541678
4-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 119380159
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119412500
4-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119379182
4-(3-aminopiperidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide
CID 119378363
1-[4-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid
CID 45341309
4-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide;hydrochloride
CID 119381064
(3-aminopiperidin-1-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone;hydrochloride
CID 119377173
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 119411623

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide (CID 119380917) is 4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCCC(N)C2)cc1.
What is the InChIKey of 4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is HSFVKPKKNFFDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-11(2)17-22(20,21)14-7-5-12(6-8-14)15(19)18-9-3-4-13(16)10-18/h5-8,11,13,17H,3-4,9-10,16H2,1-2H3.
What are the key properties of 4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide?
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 325.43 g/mol, XLogP of 0.94, 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-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 119380917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).