6-cyano-N-(3-hydroxybutyl)-N-methylpyridine-3-sulfonamide

C11H15N3O3S — CID 113320170

IUPAC6-cyano-N-(3-hydroxybutyl)-N-methylpyridine-3-sulfonamide
SMILESCC(O)CCN(C)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C11H15N3O3S/c1-9(15)5-6-14(2)18(16,17)11-4-3-10(7-12)13-8-11/h3-4,8-9,15H,5-6H2,1-2H3
InChIKeyOLINTGKCMHVYMK-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.34
Rot. Bonds5

About 6-cyano-N-(3-hydroxybutyl)-N-methylpyridine-3-sulfonamide

6-cyano-N-(3-hydroxybutyl)-N-methylpyridine-3-sulfonamide (PubChem CID 113320170) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 6-cyano-N-(3-hydroxybutyl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(3-hydroxybutyl)-N-methylpyridine-3-sulfonamide
PubChem CID113320170
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name6-cyano-N-(3-hydroxybutyl)-N-methylpyridine-3-sulfonamide
SMILESCC(O)CCN(C)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C11H15N3O3S/c1-9(15)5-6-14(2)18(16,17)11-4-3-10(7-12)13-8-11/h3-4,8-9,15H,5-6H2,1-2H3
InChIKeyOLINTGKCMHVYMK-UHFFFAOYSA-N
XLogP0.34
TPSA94.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-cyano-N-(3-hydroxybutyl)-N-methylpyridine-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

3-[(6-cyano-3-pyridinyl)sulfonyl-methylamino]propanoic acid
CID 115776606
6-cyano-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 115690499
6-cyano-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 115875810
6-cyano-N-(2,2-dimethylpropyl)-N-methylpyridine-3-sulfonamide
CID 115605813
6-cyano-N-ethyl-N-propan-2-ylpyridine-3-sulfonamide
CID 113230112
6-cyano-N-(1-cyanopropan-2-yl)-N-methylpyridine-3-sulfonamide
CID 115611960
6-cyano-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 114613874
N-(3-hydroxybutyl)-4-iodo-N-methylbenzenesulfonamide
CID 113320165
N-(3-amino-2,2-dimethylpropyl)-6-cyano-N-methylpyridine-3-sulfonamide
CID 115752573
6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide
CID 115621452
N-[(4-aminophenyl)methyl]-6-cyano-N-methylpyridine-3-sulfonamide
CID 114612849
6-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide
CID 103188942

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(3-hydroxybutyl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(3-hydroxybutyl)-N-methylpyridine-3-sulfonamide (CID 113320170) is 6-cyano-N-(3-hydroxybutyl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(3-hydroxybutyl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(3-hydroxybutyl)-N-methylpyridine-3-sulfonamide is CC(O)CCN(C)S(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N-(3-hydroxybutyl)-N-methylpyridine-3-sulfonamide?
The InChIKey is OLINTGKCMHVYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-9(15)5-6-14(2)18(16,17)11-4-3-10(7-12)13-8-11/h3-4,8-9,15H,5-6H2,1-2H3.
What are the key properties of 6-cyano-N-(3-hydroxybutyl)-N-methylpyridine-3-sulfonamide?
6-cyano-N-(3-hydroxybutyl)-N-methylpyridine-3-sulfonamide has a molecular weight of 269.33 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(3-hydroxybutyl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 113320170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).