3-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide

C16H23N3O3S — CID 119466674

IUPAC3-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
SMILESNCC1CCCCN1C(=O)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C16H23N3O3S/c17-11-14-5-1-2-9-19(14)16(20)12-4-3-6-15(10-12)23(21,22)18-13-7-8-13/h3-4,6,10,13-14,18H,1-2,5,7-9,11,17H2
InChIKeyBFYNFFOFJKPSKH-UHFFFAOYSA-N
MW337.44 g/mol
LogP1.08
Rot. Bonds5

About 3-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide

3-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide (PubChem CID 119466674) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is 3-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name3-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
PubChem CID119466674
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC Name3-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
SMILESNCC1CCCCN1C(=O)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C16H23N3O3S/c17-11-14-5-1-2-9-19(14)16(20)12-4-3-6-15(10-12)23(21,22)18-13-7-8-13/h3-4,6,10,13-14,18H,1-2,5,7-9,11,17H2
InChIKeyBFYNFFOFJKPSKH-UHFFFAOYSA-N
XLogP1.08
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119633746
[2-(aminomethyl)piperidin-1-yl]-[3-(azepan-1-ylsulfonyl)phenyl]methanone
CID 119467046
3-[4-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 119423037
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-benzylbenzenesulfonamide
CID 119632832
N-cyclopropyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 154839161
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]-N-cyclopentyl-2-methylbenzenesulfonamide
CID 119632759
[2-(aminomethyl)piperidin-1-yl]-[3-(benzenesulfonylmethyl)phenyl]methanone;hydrochloride
CID 119469703
3-[2-(aminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride
CID 119468634
5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methoxybenzenesulfonamide
CID 119467121
3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 43073290

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 3-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide (CID 119466674) is 3-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 3-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 3-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide is NCC1CCCCN1C(=O)c1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 3-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide?
The InChIKey is BFYNFFOFJKPSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c17-11-14-5-1-2-9-19(14)16(20)12-4-3-6-15(10-12)23(21,22)18-13-7-8-13/h3-4,6,10,13-14,18H,1-2,5,7-9,11,17H2.
What are the key properties of 3-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide?
3-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide has a molecular weight of 337.44 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 119466674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).