N-(2-methylprop-2-enyl)-4-oxo-1H-pyridine-3-sulfonamide

C9H12N2O3S — CID 114618261

IUPACN-(2-methylprop-2-enyl)-4-oxo-1H-pyridine-3-sulfonamide
SMILESC=C(C)CNS(=O)(=O)c1c[nH]ccc1=O
InChIInChI=1S/C9H12N2O3S/c1-7(2)5-11-15(13,14)9-6-10-4-3-8(9)12/h3-4,6,11H,1,5H2,2H3,(H,10,12)
InChIKeyWVLNZMWZRUHMDO-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.23
Rot. Bonds4

About N-(2-methylprop-2-enyl)-4-oxo-1H-pyridine-3-sulfonamide

N-(2-methylprop-2-enyl)-4-oxo-1H-pyridine-3-sulfonamide (PubChem CID 114618261) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-4-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-4-oxo-1H-pyridine-3-sulfonamide
PubChem CID114618261
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC NameN-(2-methylprop-2-enyl)-4-oxo-1H-pyridine-3-sulfonamide
SMILESC=C(C)CNS(=O)(=O)c1c[nH]ccc1=O
InChIInChI=1S/C9H12N2O3S/c1-7(2)5-11-15(13,14)9-6-10-4-3-8(9)12/h3-4,6,11H,1,5H2,2H3,(H,10,12)
InChIKeyWVLNZMWZRUHMDO-UHFFFAOYSA-N
XLogP0.23
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-methylprop-2-enyl)-4-oxo-1H-pyridine-3-sulfonamide 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

N-(3-hydroxypentyl)-4-oxo-1H-pyridine-3-sulfonamide
CID 113497699
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
CID 65123019
1,3-dimethyl-N-(2-methylprop-2-enyl)-2,4-dioxopyrimidine-5-sulfonamide
CID 114616428
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-oxo-1H-pyridine-3-sulfonamide
CID 106352667
4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide
CID 106293636
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
CID 106405985
4-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616524
N-(1,2-oxazol-3-ylmethyl)-4-oxo-1H-pyridine-3-sulfonamide
CID 81178508
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
CID 65123067
N-(4-methylpent-1-yn-3-yl)-4-oxo-1H-pyridine-3-sulfonamide
CID 114202602
N-(2-hydroxyphenyl)-4-oxo-1H-pyridine-3-sulfonamide
CID 107858289
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
CID 115991442

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-4-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(2-methylprop-2-enyl)-4-oxo-1H-pyridine-3-sulfonamide (CID 114618261) is N-(2-methylprop-2-enyl)-4-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-methylprop-2-enyl)-4-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(2-methylprop-2-enyl)-4-oxo-1H-pyridine-3-sulfonamide is C=C(C)CNS(=O)(=O)c1c[nH]ccc1=O.
What is the InChIKey of N-(2-methylprop-2-enyl)-4-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is WVLNZMWZRUHMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-7(2)5-11-15(13,14)9-6-10-4-3-8(9)12/h3-4,6,11H,1,5H2,2H3,(H,10,12).
What are the key properties of N-(2-methylprop-2-enyl)-4-oxo-1H-pyridine-3-sulfonamide?
N-(2-methylprop-2-enyl)-4-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 228.27 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-4-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 114618261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).