3-(4-methylpiperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide

C16H22N2O3S — CID 46652326

IUPAC3-(4-methylpiperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C16H22N2O3S/c1-3-9-17-22(20,21)15-6-4-5-14(12-15)16(19)18-10-7-13(2)8-11-18/h3-6,12-13,17H,1,7-11H2,2H3
InChIKeyZSGOUQBBOMRNOL-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.02
Rot. Bonds5

About 3-(4-methylpiperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide

3-(4-methylpiperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide (PubChem CID 46652326) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 3-(4-methylpiperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name3-(4-methylpiperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
PubChem CID46652326
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name3-(4-methylpiperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C16H22N2O3S/c1-3-9-17-22(20,21)15-6-4-5-14(12-15)16(19)18-10-7-13(2)8-11-18/h3-6,12-13,17H,1,7-11H2,2H3
InChIKeyZSGOUQBBOMRNOL-UHFFFAOYSA-N
XLogP2.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-acetylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 109062386
3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 119542652
3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide;hydrochloride
CID 119542651
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
3-[3-(methylamino)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 119487555
3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 55645949
3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 120996857
N-[(2-methylphenyl)methyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109063474
3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 55376240
3-[(3S)-3-hydroxy-3-(trifluoromethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 97019761
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 46442928

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 3-(4-methylpiperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide (CID 46652326) is 3-(4-methylpiperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 3-(4-methylpiperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 3-(4-methylpiperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C)CC2)c1.
What is the InChIKey of 3-(4-methylpiperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide?
The InChIKey is ZSGOUQBBOMRNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-3-9-17-22(20,21)15-6-4-5-14(12-15)16(19)18-10-7-13(2)8-11-18/h3-6,12-13,17H,1,7-11H2,2H3.
What are the key properties of 3-(4-methylpiperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide?
3-(4-methylpiperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide has a molecular weight of 322.43 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 46652326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).