N-methyl-4-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzenesulfonamide

C15H20N2O3S — CID 34317435

IUPACN-methyl-4-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H20N2O3S/c1-16-21(19,20)14-8-5-13(6-9-14)7-10-15(18)17-11-3-2-4-12-17/h5-10,16H,2-4,11-12H2,1H3/b10-7+
InChIKeyVEUZZGKBENERMK-JXMROGBWSA-N
MW308.40 g/mol
LogP1.62
Rot. Bonds4

About N-methyl-4-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzenesulfonamide

N-methyl-4-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzenesulfonamide (PubChem CID 34317435) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-methyl-4-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzenesulfonamide
PubChem CID34317435
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-methyl-4-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H20N2O3S/c1-16-21(19,20)14-8-5-13(6-9-14)7-10-15(18)17-11-3-2-4-12-17/h5-10,16H,2-4,11-12H2,1H3/b10-7+
InChIKeyVEUZZGKBENERMK-JXMROGBWSA-N
XLogP1.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxoprop-1-enyl]-N-methylbenzenesulfonamide
CID 94654483
4-[3-(3,5-dimethylpiperazin-1-yl)-3-oxoprop-1-enyl]-N-methylbenzenesulfonamide
CID 126775430
4-[(E)-3-(azepan-1-yl)-3-oxoprop-1-enyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 9314898
1-[(E)-3-[4-(methylsulfamoyl)phenyl]prop-2-enoyl]piperidine-2-carboxylic acid
CID 75417950
N-[4-[(E)-3-(azepan-1-yl)-3-oxoprop-1-enyl]phenyl]methanesulfonamide
CID 18149857
4-[(E)-3-(4-benzylpiperidin-1-yl)-3-oxoprop-1-enyl]-N-methylbenzenesulfonamide
CID 25326457
N-[4-(methylsulfamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26715414
1-[3-[4-(methylsulfamoyl)phenyl]prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 126786839
N-[4-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]phenyl]acetamide
CID 36866079
4-[3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-oxoprop-1-enyl]-N-methylbenzenesulfonamide
CID 55993904
4-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxoprop-1-enyl]-N-methylbenzenesulfonamide;hydrochloride
CID 126783366
N-methyl-4-[(E)-3-oxo-3-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]prop-1-enyl]benzenesulfonamide
CID 86906378

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzenesulfonamide?
The IUPAC name of N-methyl-4-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzenesulfonamide (CID 34317435) is N-methyl-4-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzenesulfonamide is CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCCCC2)cc1.
What is the InChIKey of N-methyl-4-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzenesulfonamide?
The InChIKey is VEUZZGKBENERMK-JXMROGBWSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-16-21(19,20)14-8-5-13(6-9-14)7-10-15(18)17-11-3-2-4-12-17/h5-10,16H,2-4,11-12H2,1H3/b10-7+.
What are the key properties of N-methyl-4-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzenesulfonamide?
N-methyl-4-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzenesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzenesulfonamide is sourced from PubChem (CID 34317435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).