N-(4-hydroxy-2-methylpentyl)propane-1-sulfonamide

C9H21NO3S — CID 56795003

IUPACN-(4-hydroxy-2-methylpentyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C)CC(C)O
InChIInChI=1S/C9H21NO3S/c1-4-5-14(12,13)10-7-8(2)6-9(3)11/h8-11H,4-7H2,1-3H3
InChIKeyIFWLAAGJBGCLTG-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.72
Rot. Bonds7

About N-(4-hydroxy-2-methylpentyl)propane-1-sulfonamide

N-(4-hydroxy-2-methylpentyl)propane-1-sulfonamide (PubChem CID 56795003) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylpentyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylpentyl)propane-1-sulfonamide
PubChem CID56795003
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC NameN-(4-hydroxy-2-methylpentyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C)CC(C)O
InChIInChI=1S/C9H21NO3S/c1-4-5-14(12,13)10-7-8(2)6-9(3)11/h8-11H,4-7H2,1-3H3
InChIKeyIFWLAAGJBGCLTG-UHFFFAOYSA-N
XLogP0.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-hydroxy-2-methylpentyl)propane-1-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-(4-hydroxy-2-methylpentyl)propane-1-sulfonamide?
The IUPAC name of N-(4-hydroxy-2-methylpentyl)propane-1-sulfonamide (CID 56795003) is N-(4-hydroxy-2-methylpentyl)propane-1-sulfonamide.
What is the SMILES notation for N-(4-hydroxy-2-methylpentyl)propane-1-sulfonamide?
The canonical SMILES for N-(4-hydroxy-2-methylpentyl)propane-1-sulfonamide is CCCS(=O)(=O)NCC(C)CC(C)O.
What is the InChIKey of N-(4-hydroxy-2-methylpentyl)propane-1-sulfonamide?
The InChIKey is IFWLAAGJBGCLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-4-5-14(12,13)10-7-8(2)6-9(3)11/h8-11H,4-7H2,1-3H3.
What are the key properties of N-(4-hydroxy-2-methylpentyl)propane-1-sulfonamide?
N-(4-hydroxy-2-methylpentyl)propane-1-sulfonamide has a molecular weight of 223.34 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylpentyl)propane-1-sulfonamide is sourced from PubChem (CID 56795003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).