N-(2-hydroxy-4-methylpentyl)oxane-4-sulfonamide

C11H23NO4S — CID 113317242

IUPACN-(2-hydroxy-4-methylpentyl)oxane-4-sulfonamide
SMILESCC(C)CC(O)CNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H23NO4S/c1-9(2)7-10(13)8-12-17(14,15)11-3-5-16-6-4-11/h9-13H,3-8H2,1-2H3
InChIKeyITWPIFYFQGDHIK-UHFFFAOYSA-N
MW265.37 g/mol
LogP0.49
Rot. Bonds6

About N-(2-hydroxy-4-methylpentyl)oxane-4-sulfonamide

N-(2-hydroxy-4-methylpentyl)oxane-4-sulfonamide (PubChem CID 113317242) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)oxane-4-sulfonamide
PubChem CID113317242
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC NameN-(2-hydroxy-4-methylpentyl)oxane-4-sulfonamide
SMILESCC(C)CC(O)CNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H23NO4S/c1-9(2)7-10(13)8-12-17(14,15)11-3-5-16-6-4-11/h9-13H,3-8H2,1-2H3
InChIKeyITWPIFYFQGDHIK-UHFFFAOYSA-N
XLogP0.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxy-4-methylpentyl)oxane-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)oxane-4-sulfonamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)oxane-4-sulfonamide (CID 113317242) is N-(2-hydroxy-4-methylpentyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)oxane-4-sulfonamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)oxane-4-sulfonamide is CC(C)CC(O)CNS(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)oxane-4-sulfonamide?
The InChIKey is ITWPIFYFQGDHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-9(2)7-10(13)8-12-17(14,15)11-3-5-16-6-4-11/h9-13H,3-8H2,1-2H3.
What are the key properties of N-(2-hydroxy-4-methylpentyl)oxane-4-sulfonamide?
N-(2-hydroxy-4-methylpentyl)oxane-4-sulfonamide has a molecular weight of 265.37 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)oxane-4-sulfonamide is sourced from PubChem (CID 113317242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).