N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-oxo-1H-pyridine-3-sulfonamide

C12H20N2O4S — CID 106352667

IUPACN-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-oxo-1H-pyridine-3-sulfonamide
SMILESCC(C)(C)C(CCO)NS(=O)(=O)c1c[nH]ccc1=O
InChIInChI=1S/C12H20N2O4S/c1-12(2,3)11(5-7-15)14-19(17,18)10-8-13-6-4-9(10)16/h4,6,8,11,14-15H,5,7H2,1-3H3,(H,13,16)
InChIKeyOQCQTBLOAUOAPT-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.45
Rot. Bonds5

About N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-oxo-1H-pyridine-3-sulfonamide

N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-oxo-1H-pyridine-3-sulfonamide (PubChem CID 106352667) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-oxo-1H-pyridine-3-sulfonamide
PubChem CID106352667
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-oxo-1H-pyridine-3-sulfonamide
SMILESCC(C)(C)C(CCO)NS(=O)(=O)c1c[nH]ccc1=O
InChIInChI=1S/C12H20N2O4S/c1-12(2,3)11(5-7-15)14-19(17,18)10-8-13-6-4-9(10)16/h4,6,8,11,14-15H,5,7H2,1-3H3,(H,13,16)
InChIKeyOQCQTBLOAUOAPT-UHFFFAOYSA-N
XLogP0.45
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrrole-3-sulfonamide
CID 106353453
N-(4-methylpent-1-yn-3-yl)-4-oxo-1H-pyridine-3-sulfonamide
CID 114202602
N-(1-methoxy-3-methylbutan-2-yl)-4-oxo-1H-pyridine-3-sulfonamide
CID 65048037
2,3,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 103833824
N-(2-methylprop-2-enyl)-4-oxo-1H-pyridine-3-sulfonamide
CID 114618261
2,5-dibromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 103833752
N-(3-hydroxypentyl)-4-oxo-1H-pyridine-3-sulfonamide
CID 113497699
4-bromo-2-fluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 104919134
4-(bromomethyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 106353477
2-amino-5-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 106348107
3,4-difluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 75431301
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-methylbenzenesulfonamide
CID 103833861

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-oxo-1H-pyridine-3-sulfonamide (CID 106352667) is N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-oxo-1H-pyridine-3-sulfonamide is CC(C)(C)C(CCO)NS(=O)(=O)c1c[nH]ccc1=O.
What is the InChIKey of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is OQCQTBLOAUOAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-12(2,3)11(5-7-15)14-19(17,18)10-8-13-6-4-9(10)16/h4,6,8,11,14-15H,5,7H2,1-3H3,(H,13,16).
What are the key properties of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-oxo-1H-pyridine-3-sulfonamide?
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 106352667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).