2-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyridine-3-sulfonamide

C13H19N3O3S — CID 106546179

IUPAC2-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyridine-3-sulfonamide
SMILESCC(C)(C)C(CCO)NS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C13H19N3O3S/c1-13(2,3)12(6-8-17)16-20(18,19)11-5-4-7-15-10(11)9-14/h4-5,7,12,16-17H,6,8H2,1-3H3
InChIKeyRQULTTWHLSFXGF-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.03
Rot. Bonds5

About 2-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyridine-3-sulfonamide

2-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyridine-3-sulfonamide (PubChem CID 106546179) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyridine-3-sulfonamide
PubChem CID106546179
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name2-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyridine-3-sulfonamide
SMILESCC(C)(C)C(CCO)NS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C13H19N3O3S/c1-13(2,3)12(6-8-17)16-20(18,19)11-5-4-7-15-10(11)9-14/h4-5,7,12,16-17H,6,8H2,1-3H3
InChIKeyRQULTTWHLSFXGF-UHFFFAOYSA-N
XLogP1.03
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-3-sulfonamide
CID 106546616
3-[(2-cyano-3-pyridinyl)sulfonylamino]butanoic acid
CID 106593255
2-cyano-N-(4-methoxybutan-2-yl)pyridine-3-sulfonamide
CID 106545893
2-cyano-N-octan-4-ylpyridine-3-sulfonamide
CID 106546437
2-cyano-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 106546133
N-tert-butyl-2-[(2-cyano-3-pyridinyl)sulfonylamino]propanamide
CID 106545736
(2S)-2-[(2-cyano-3-pyridinyl)sulfonylamino]hexanoic acid
CID 107144955
2-cyano-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 106545154
2-cyano-N-(4-methylsulfinylbutan-2-yl)pyridine-3-sulfonamide
CID 106596242
tert-butyl (2R)-2-[(2-cyano-3-pyridinyl)sulfonylamino]propanoate
CID 106546546
2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 106546835
2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 106546656

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyridine-3-sulfonamide (CID 106546179) is 2-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyridine-3-sulfonamide is CC(C)(C)C(CCO)NS(=O)(=O)c1cccnc1C#N.
What is the InChIKey of 2-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyridine-3-sulfonamide?
The InChIKey is RQULTTWHLSFXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-13(2,3)12(6-8-17)16-20(18,19)11-5-4-7-15-10(11)9-14/h4-5,7,12,16-17H,6,8H2,1-3H3.
What are the key properties of 2-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyridine-3-sulfonamide?
2-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyridine-3-sulfonamide has a molecular weight of 297.38 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 106546179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).