6-cyano-N-(2,2-dimethylpropyl)-N-methylpyridine-3-sulfonamide

C12H17N3O2S — CID 115605813

IUPAC6-cyano-N-(2,2-dimethylpropyl)-N-methylpyridine-3-sulfonamide
SMILESCN(CC(C)(C)C)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C12H17N3O2S/c1-12(2,3)9-15(4)18(16,17)11-6-5-10(7-13)14-8-11/h5-6,8H,9H2,1-4H3
InChIKeyGLXSPLOTODMRLB-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.62
Rot. Bonds3

About 6-cyano-N-(2,2-dimethylpropyl)-N-methylpyridine-3-sulfonamide

6-cyano-N-(2,2-dimethylpropyl)-N-methylpyridine-3-sulfonamide (PubChem CID 115605813) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 6-cyano-N-(2,2-dimethylpropyl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(2,2-dimethylpropyl)-N-methylpyridine-3-sulfonamide
PubChem CID115605813
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name6-cyano-N-(2,2-dimethylpropyl)-N-methylpyridine-3-sulfonamide
SMILESCN(CC(C)(C)C)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C12H17N3O2S/c1-12(2,3)9-15(4)18(16,17)11-6-5-10(7-13)14-8-11/h5-6,8H,9H2,1-4H3
InChIKeyGLXSPLOTODMRLB-UHFFFAOYSA-N
XLogP1.62
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-6-cyano-N-methylpyridine-3-sulfonamide
CID 115752573
6-cyano-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 115690499
3-[(6-cyano-3-pyridinyl)sulfonyl-methylamino]propanoic acid
CID 115776606
6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide
CID 115621452
6-cyano-N-(3-hydroxybutyl)-N-methylpyridine-3-sulfonamide
CID 113320170
N-[(4-aminophenyl)methyl]-6-cyano-N-methylpyridine-3-sulfonamide
CID 114612849
6-cyano-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 114613874
6-cyano-N-(furan-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 115602451
6-cyano-N-methyl-N-(naphthalen-1-ylmethyl)pyridine-3-sulfonamide
CID 166403283
6-cyano-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 115875810
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

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(2,2-dimethylpropyl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(2,2-dimethylpropyl)-N-methylpyridine-3-sulfonamide (CID 115605813) is 6-cyano-N-(2,2-dimethylpropyl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(2,2-dimethylpropyl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(2,2-dimethylpropyl)-N-methylpyridine-3-sulfonamide is CN(CC(C)(C)C)S(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N-(2,2-dimethylpropyl)-N-methylpyridine-3-sulfonamide?
The InChIKey is GLXSPLOTODMRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-12(2,3)9-15(4)18(16,17)11-6-5-10(7-13)14-8-11/h5-6,8H,9H2,1-4H3.
What are the key properties of 6-cyano-N-(2,2-dimethylpropyl)-N-methylpyridine-3-sulfonamide?
6-cyano-N-(2,2-dimethylpropyl)-N-methylpyridine-3-sulfonamide has a molecular weight of 267.35 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(2,2-dimethylpropyl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 115605813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).