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

C12H15N3O2S — CID 115621452

IUPAC6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide
SMILESCN(CC1CCC1)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C12H15N3O2S/c1-15(9-10-3-2-4-10)18(16,17)12-6-5-11(7-13)14-8-12/h5-6,8,10H,2-4,9H2,1H3
InChIKeyKJRGBWAEOZGDGN-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.37
Rot. Bonds4

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

6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide (PubChem CID 115621452) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide
PubChem CID115621452
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide
SMILESCN(CC1CCC1)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C12H15N3O2S/c1-15(9-10-3-2-4-10)18(16,17)12-6-5-11(7-13)14-8-12/h5-6,8,10H,2-4,9H2,1H3
InChIKeyKJRGBWAEOZGDGN-UHFFFAOYSA-N
XLogP1.37
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyano-N-(cyclobutylmethyl)pyridine-3-sulfonamide
CID 115602600
6-cyano-N-(2,2-dimethylpropyl)-N-methylpyridine-3-sulfonamide
CID 115605813
6-cyano-N-(cyanomethyl)-N-cyclopentylpyridine-3-sulfonamide
CID 115641421
6-cyano-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 115690499
3-[(6-cyano-3-pyridinyl)sulfonyl-methylamino]propanoic acid
CID 115776606
5-[cyclopentylmethyl(methyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614470
6-cyano-N-(3-hydroxybutyl)-N-methylpyridine-3-sulfonamide
CID 113320170
N-(3-amino-2,2-dimethylpropyl)-6-cyano-N-methylpyridine-3-sulfonamide
CID 115752573
N-[(4-aminophenyl)methyl]-6-cyano-N-methylpyridine-3-sulfonamide
CID 114612849
6-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide
CID 106608168
N-(cyclohexylmethyl)-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide
CID 61443170
5-[3-(dimethylamino)piperidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 115630482

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide (CID 115621452) is 6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide is CN(CC1CCC1)S(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide?
The InChIKey is KJRGBWAEOZGDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-15(9-10-3-2-4-10)18(16,17)12-6-5-11(7-13)14-8-12/h5-6,8,10H,2-4,9H2,1H3.
What are the key properties of 6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide?
6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide has a molecular weight of 265.34 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 115621452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).