2-cyano-N-methyl-N-prop-2-enylpyridine-3-sulfonamide

C10H11N3O2S — CID 106546805

IUPAC2-cyano-N-methyl-N-prop-2-enylpyridine-3-sulfonamide
SMILESC=CCN(C)S(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C10H11N3O2S/c1-3-7-13(2)16(14,15)10-5-4-6-12-9(10)8-11/h3-6H,1,7H2,2H3
InChIKeyFDTGYXUELOXVPA-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.76
Rot. Bonds4

About 2-cyano-N-methyl-N-prop-2-enylpyridine-3-sulfonamide

2-cyano-N-methyl-N-prop-2-enylpyridine-3-sulfonamide (PubChem CID 106546805) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-cyano-N-methyl-N-prop-2-enylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-methyl-N-prop-2-enylpyridine-3-sulfonamide
PubChem CID106546805
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name2-cyano-N-methyl-N-prop-2-enylpyridine-3-sulfonamide
SMILESC=CCN(C)S(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C10H11N3O2S/c1-3-7-13(2)16(14,15)10-5-4-6-12-9(10)8-11/h3-6H,1,7H2,2H3
InChIKeyFDTGYXUELOXVPA-UHFFFAOYSA-N
XLogP0.76
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-cyano-N-methyl-N-prop-2-enylpyridine-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

2-cyano-N-methyl-N-pentan-3-ylpyridine-3-sulfonamide
CID 106545415
2-cyano-N-methoxy-N-methylpyridine-3-sulfonamide
CID 106545270
N-(3-amino-4-methylpentyl)-2-cyano-N-methylpyridine-3-sulfonamide
CID 106598661
2-cyano-N-cyclopropyl-N-methylpyridine-3-sulfonamide
CID 106545449
2-cyano-N-methyl-N-(4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 106545418
N-[(3-bromophenyl)methyl]-2-cyano-N-methylpyridine-3-sulfonamide
CID 106545670
methyl 3-[(2-cyano-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoate
CID 106545523
2-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-sulfonamide
CID 100632666
2-cyano-N-(2-fluorophenyl)-N-methylpyridine-3-sulfonamide
CID 106595893
N-(4-aminophenyl)-2-cyano-N-methylpyridine-3-sulfonamide
CID 106593160
2-cyano-N-(2-cyanophenyl)-N-methylpyridine-3-sulfonamide
CID 106595245
2-[(2-cyano-3-pyridinyl)sulfonyl-propan-2-ylamino]acetic acid
CID 106593268

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methyl-N-prop-2-enylpyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-methyl-N-prop-2-enylpyridine-3-sulfonamide (CID 106546805) is 2-cyano-N-methyl-N-prop-2-enylpyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-methyl-N-prop-2-enylpyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-methyl-N-prop-2-enylpyridine-3-sulfonamide is C=CCN(C)S(=O)(=O)c1cccnc1C#N.
What is the InChIKey of 2-cyano-N-methyl-N-prop-2-enylpyridine-3-sulfonamide?
The InChIKey is FDTGYXUELOXVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-3-7-13(2)16(14,15)10-5-4-6-12-9(10)8-11/h3-6H,1,7H2,2H3.
What are the key properties of 2-cyano-N-methyl-N-prop-2-enylpyridine-3-sulfonamide?
2-cyano-N-methyl-N-prop-2-enylpyridine-3-sulfonamide has a molecular weight of 237.28 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methyl-N-prop-2-enylpyridine-3-sulfonamide is sourced from PubChem (CID 106546805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).