2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide

C13H19N3O2S — CID 106546835

IUPAC2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
SMILESCC(C)C(C)(C)CNS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C13H19N3O2S/c1-10(2)13(3,4)9-16-19(17,18)12-6-5-7-15-11(12)8-14/h5-7,10,16H,9H2,1-4H3
InChIKeyGZRCVJDHDCBTCY-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.91
Rot. Bonds5

About 2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide

2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide (PubChem CID 106546835) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
PubChem CID106546835
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
SMILESCC(C)C(C)(C)CNS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C13H19N3O2S/c1-10(2)13(3,4)9-16-19(17,18)12-6-5-7-15-11(12)8-14/h5-7,10,16H,9H2,1-4H3
InChIKeyGZRCVJDHDCBTCY-UHFFFAOYSA-N
XLogP1.91
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 106593434
2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 106546656
2-chloro-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 102609400
N-(3-amino-2,2-difluoropropyl)-2-cyanopyridine-3-sulfonamide
CID 106598697
2-cyano-N-(2-phenylpropyl)pyridine-3-sulfonamide
CID 106545234
2-cyano-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 106546061
3-[(2-cyano-3-pyridinyl)sulfonylamino]butanoic acid
CID 106593255
2-cyano-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 106545154
tert-butyl (2R)-2-[(2-cyano-3-pyridinyl)sulfonylamino]propanoate
CID 106546546
2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
CID 106545352
2-cyano-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 106595467
2-cyano-N-pent-4-ynylpyridine-3-sulfonamide
CID 106546358

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide (CID 106546835) is 2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide is CC(C)C(C)(C)CNS(=O)(=O)c1cccnc1C#N.
What is the InChIKey of 2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide?
The InChIKey is GZRCVJDHDCBTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-10(2)13(3,4)9-16-19(17,18)12-6-5-7-15-11(12)8-14/h5-7,10,16H,9H2,1-4H3.
What are the key properties of 2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide?
2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide has a molecular weight of 281.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106546835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).