6-(cyanomethyl)-N,N-dimethylpyridine-3-sulfonamide

C9H11N3O2S — CID 103341340

IUPAC6-(cyanomethyl)-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CC#N)nc1
InChIInChI=1S/C9H11N3O2S/c1-12(2)15(13,14)9-4-3-8(5-6-10)11-7-9/h3-4,7H,5H2,1-2H3
InChIKeyXBTQWYGNVNJBLX-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.40
Rot. Bonds3

About 6-(cyanomethyl)-N,N-dimethylpyridine-3-sulfonamide

6-(cyanomethyl)-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 103341340) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 6-(cyanomethyl)-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(cyanomethyl)-N,N-dimethylpyridine-3-sulfonamide
PubChem CID103341340
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name6-(cyanomethyl)-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CC#N)nc1
InChIInChI=1S/C9H11N3O2S/c1-12(2)15(13,14)9-4-3-8(5-6-10)11-7-9/h3-4,7H,5H2,1-2H3
InChIKeyXBTQWYGNVNJBLX-UHFFFAOYSA-N
XLogP0.40
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-chloroethyl(methyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103341349
2-(5-methyl-2-pyridinyl)acetonitrile
CID 583430
N,N-dimethyl-6-(prop-2-ynylamino)pyridine-3-sulfonamide
CID 103340991
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]oxy]acetic acid
CID 103341256
6-cyano-N-(1-cyanopropan-2-yl)-N-methylpyridine-3-sulfonamide
CID 115611960
6-cyano-N-(2,2-dimethylpropyl)-N-methylpyridine-3-sulfonamide
CID 115605813
5-(dimethylsulfamoyl)pyridine-2-carbothioamide
CID 114614067
6-cyano-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 115690499
N,N-dimethyl-6-[2-(propylamino)ethoxy]pyridine-3-sulfonamide
CID 103341282
6-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103341229
6-cyano-N-ethyl-N-propan-2-ylpyridine-3-sulfonamide
CID 113230112
6-(2-amino-4-pyridinyl)-N,N-dimethylpyridine-3-sulfonamide
CID 171678680

Frequently Asked Questions

What is the IUPAC name of 6-(cyanomethyl)-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-(cyanomethyl)-N,N-dimethylpyridine-3-sulfonamide (CID 103341340) is 6-(cyanomethyl)-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(cyanomethyl)-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-(cyanomethyl)-N,N-dimethylpyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(CC#N)nc1.
What is the InChIKey of 6-(cyanomethyl)-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is XBTQWYGNVNJBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-12(2)15(13,14)9-4-3-8(5-6-10)11-7-9/h3-4,7H,5H2,1-2H3.
What are the key properties of 6-(cyanomethyl)-N,N-dimethylpyridine-3-sulfonamide?
6-(cyanomethyl)-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 225.27 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyanomethyl)-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 103341340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).