N-(2-hydroxy-2-methylpentyl)-6-oxo-1H-pyridine-3-sulfonamide

C11H18N2O4S — CID 106293642

IUPACN-(2-hydroxy-2-methylpentyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCCC(C)(O)CNS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H18N2O4S/c1-3-6-11(2,15)8-13-18(16,17)9-4-5-10(14)12-7-9/h4-5,7,13,15H,3,6,8H2,1-2H3,(H,12,14)
InChIKeyYWOFRAISHBYGBF-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.20
Rot. Bonds6

About N-(2-hydroxy-2-methylpentyl)-6-oxo-1H-pyridine-3-sulfonamide

N-(2-hydroxy-2-methylpentyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 106293642) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpentyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpentyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID106293642
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC NameN-(2-hydroxy-2-methylpentyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCCC(C)(O)CNS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H18N2O4S/c1-3-6-11(2,15)8-13-18(16,17)9-4-5-10(14)12-7-9/h4-5,7,13,15H,3,6,8H2,1-2H3,(H,12,14)
InChIKeyYWOFRAISHBYGBF-UHFFFAOYSA-N
XLogP0.20
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpentyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-methylpentyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 106293642) is N-(2-hydroxy-2-methylpentyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpentyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methylpentyl)-6-oxo-1H-pyridine-3-sulfonamide is CCCC(C)(O)CNS(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(2-hydroxy-2-methylpentyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is YWOFRAISHBYGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-3-6-11(2,15)8-13-18(16,17)9-4-5-10(14)12-7-9/h4-5,7,13,15H,3,6,8H2,1-2H3,(H,12,14).
What are the key properties of N-(2-hydroxy-2-methylpentyl)-6-oxo-1H-pyridine-3-sulfonamide?
N-(2-hydroxy-2-methylpentyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 274.34 g/mol, XLogP of 0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpentyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 106293642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).