6-oxo-N,N-bis(prop-2-enyl)-1H-pyridine-3-sulfonamide

C11H14N2O3S — CID 43629018

IUPAC6-oxo-N,N-bis(prop-2-enyl)-1H-pyridine-3-sulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H14N2O3S/c1-3-7-13(8-4-2)17(15,16)10-5-6-11(14)12-9-10/h3-6,9H,1-2,7-8H2,(H,12,14)
InChIKeyWTILOGLRYPUFFJ-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.74
Rot. Bonds6

About 6-oxo-N,N-bis(prop-2-enyl)-1H-pyridine-3-sulfonamide

6-oxo-N,N-bis(prop-2-enyl)-1H-pyridine-3-sulfonamide (PubChem CID 43629018) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 6-oxo-N,N-bis(prop-2-enyl)-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-oxo-N,N-bis(prop-2-enyl)-1H-pyridine-3-sulfonamide
PubChem CID43629018
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name6-oxo-N,N-bis(prop-2-enyl)-1H-pyridine-3-sulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H14N2O3S/c1-3-7-13(8-4-2)17(15,16)10-5-6-11(14)12-9-10/h3-6,9H,1-2,7-8H2,(H,12,14)
InChIKeyWTILOGLRYPUFFJ-UHFFFAOYSA-N
XLogP0.74
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-oxo-N,N-bis(prop-2-enyl)-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

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N,N-bis(prop-2-enyl)-1H-pyridine-3-sulfonamide?
The IUPAC name of 6-oxo-N,N-bis(prop-2-enyl)-1H-pyridine-3-sulfonamide (CID 43629018) is 6-oxo-N,N-bis(prop-2-enyl)-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 6-oxo-N,N-bis(prop-2-enyl)-1H-pyridine-3-sulfonamide?
The canonical SMILES for 6-oxo-N,N-bis(prop-2-enyl)-1H-pyridine-3-sulfonamide is C=CCN(CC=C)S(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N,N-bis(prop-2-enyl)-1H-pyridine-3-sulfonamide?
The InChIKey is WTILOGLRYPUFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-3-7-13(8-4-2)17(15,16)10-5-6-11(14)12-9-10/h3-6,9H,1-2,7-8H2,(H,12,14).
What are the key properties of 6-oxo-N,N-bis(prop-2-enyl)-1H-pyridine-3-sulfonamide?
6-oxo-N,N-bis(prop-2-enyl)-1H-pyridine-3-sulfonamide has a molecular weight of 254.31 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N,N-bis(prop-2-enyl)-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 43629018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).