3-[3-(methylamino)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide

C16H23N3O3S — CID 119487555

IUPAC3-[3-(methylamino)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC(NC)C2)c1
InChIInChI=1S/C16H23N3O3S/c1-3-9-18-23(21,22)15-8-4-6-13(11-15)16(20)19-10-5-7-14(12-19)17-2/h3-4,6,8,11,14,17-18H,1,5,7,9-10,12H2,2H3
InChIKeyGSXUYAHALOMNQY-UHFFFAOYSA-N
MW337.45 g/mol
LogP0.97
Rot. Bonds6

About 3-[3-(methylamino)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide

3-[3-(methylamino)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide (PubChem CID 119487555) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 3-[3-(methylamino)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name3-[3-(methylamino)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
PubChem CID119487555
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name3-[3-(methylamino)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC(NC)C2)c1
InChIInChI=1S/C16H23N3O3S/c1-3-9-18-23(21,22)15-8-4-6-13(11-15)16(20)19-10-5-7-14(12-19)17-2/h3-4,6,8,11,14,17-18H,1,5,7,9-10,12H2,2H3
InChIKeyGSXUYAHALOMNQY-UHFFFAOYSA-N
XLogP0.97
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[3-(methylamino)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methylpiperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 46652326
3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 119542652
3-(4-acetylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 109062386
3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide;hydrochloride
CID 119542651
1-[3-(prop-2-enylsulfamoyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55813122
N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119492403
3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 120996857
5-methyl-1-[3-(prop-2-enylsulfamoyl)benzoyl]piperidine-3-carboxylic acid
CID 122119219
3-(piperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide;hydrochloride
CID 119400111
N-ethyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 46798331
3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 55376240
N-[3-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzenesulfonamide;hydrochloride
CID 119487809

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylamino)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 3-[3-(methylamino)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide (CID 119487555) is 3-[3-(methylamino)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 3-[3-(methylamino)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 3-[3-(methylamino)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC(NC)C2)c1.
What is the InChIKey of 3-[3-(methylamino)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide?
The InChIKey is GSXUYAHALOMNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-3-9-18-23(21,22)15-8-4-6-13(11-15)16(20)19-10-5-7-14(12-19)17-2/h3-4,6,8,11,14,17-18H,1,5,7,9-10,12H2,2H3.
What are the key properties of 3-[3-(methylamino)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide?
3-[3-(methylamino)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide has a molecular weight of 337.45 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylamino)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 119487555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).