6-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide

C13H20N4O2S — CID 103188942

IUPAC6-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C13H20N4O2S/c1-5-17(11(2)10-16(3)4)20(18,19)13-7-6-12(8-14)15-9-13/h6-7,9,11H,5,10H2,1-4H3
InChIKeyFVBIJICSTSEMMQ-UHFFFAOYSA-N
MW296.40 g/mol
LogP0.91
Rot. Bonds6

About 6-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide

6-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide (PubChem CID 103188942) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 6-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide
PubChem CID103188942
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name6-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C13H20N4O2S/c1-5-17(11(2)10-16(3)4)20(18,19)13-7-6-12(8-14)15-9-13/h6-7,9,11H,5,10H2,1-4H3
InChIKeyFVBIJICSTSEMMQ-UHFFFAOYSA-N
XLogP0.91
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-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

6-cyano-N-ethyl-N-propan-2-ylpyridine-3-sulfonamide
CID 113230112
6-cyano-N-ethyl-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 115602608
6-cyano-N-(1-cyanopropan-2-yl)-N-methylpyridine-3-sulfonamide
CID 115611960
5-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylthiophene-2-sulfonamide
CID 106269281
6-cyano-N-(3-hydroxybutyl)-N-methylpyridine-3-sulfonamide
CID 113320170
6-cyano-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 115875810
6-cyano-N-ethyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide
CID 115755442
6-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 115897757
6-cyano-N-(2,2-dimethylpropyl)-N-methylpyridine-3-sulfonamide
CID 115605813
6-cyano-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 115602563
4-acetyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103189656
6-cyano-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 115690499

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide (CID 103188942) is 6-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide is CCN(C(C)CN(C)C)S(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide?
The InChIKey is FVBIJICSTSEMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-5-17(11(2)10-16(3)4)20(18,19)13-7-6-12(8-14)15-9-13/h6-7,9,11H,5,10H2,1-4H3.
What are the key properties of 6-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide?
6-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide has a molecular weight of 296.40 g/mol, XLogP of 0.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide is sourced from PubChem (CID 103188942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).