2-hydroxy-N-(5-hydroxypentyl)-N-methylethanesulfonamide

C8H19NO4S — CID 107201393

IUPAC2-hydroxy-N-(5-hydroxypentyl)-N-methylethanesulfonamide
SMILESCN(CCCCCO)S(=O)(=O)CCO
InChIInChI=1S/C8H19NO4S/c1-9(5-3-2-4-6-10)14(12,13)8-7-11/h10-11H,2-8H2,1H3
InChIKeyQYGKJYPOABRJJB-UHFFFAOYSA-N
MW225.31 g/mol
LogP-0.60
Rot. Bonds8

About 2-hydroxy-N-(5-hydroxypentyl)-N-methylethanesulfonamide

2-hydroxy-N-(5-hydroxypentyl)-N-methylethanesulfonamide (PubChem CID 107201393) has the molecular formula C8H19NO4S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-hydroxy-N-(5-hydroxypentyl)-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-(5-hydroxypentyl)-N-methylethanesulfonamide
PubChem CID107201393
Molecular FormulaC8H19NO4S
Molecular Weight225.31 g/mol
Exact Mass225.10
IUPAC Name2-hydroxy-N-(5-hydroxypentyl)-N-methylethanesulfonamide
SMILESCN(CCCCCO)S(=O)(=O)CCO
InChIInChI=1S/C8H19NO4S/c1-9(5-3-2-4-6-10)14(12,13)8-7-11/h10-11H,2-8H2,1H3
InChIKeyQYGKJYPOABRJJB-UHFFFAOYSA-N
XLogP-0.60
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-hydroxy-N-(5-hydroxypentyl)-N-methylethanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 113930377
CID 113930377
CID 88625959
CID 88625959
CID 62228047
CID 62228047
CID 65730334
CID 65730334
CID 65730462
CID 65730462
CID 65730662
CID 65730662
CID 65730664
CID 65730664
CID 65731241
CID 65731241
CID 65731416
CID 65731416
CID 65736793
CID 65736793
CID 65750614
CID 65750614
CID 65750619
CID 65750619

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(5-hydroxypentyl)-N-methylethanesulfonamide?
The IUPAC name of 2-hydroxy-N-(5-hydroxypentyl)-N-methylethanesulfonamide (CID 107201393) is 2-hydroxy-N-(5-hydroxypentyl)-N-methylethanesulfonamide.
What is the SMILES notation for 2-hydroxy-N-(5-hydroxypentyl)-N-methylethanesulfonamide?
The canonical SMILES for 2-hydroxy-N-(5-hydroxypentyl)-N-methylethanesulfonamide is CN(CCCCCO)S(=O)(=O)CCO.
What is the InChIKey of 2-hydroxy-N-(5-hydroxypentyl)-N-methylethanesulfonamide?
The InChIKey is QYGKJYPOABRJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO4S/c1-9(5-3-2-4-6-10)14(12,13)8-7-11/h10-11H,2-8H2,1H3.
What are the key properties of 2-hydroxy-N-(5-hydroxypentyl)-N-methylethanesulfonamide?
2-hydroxy-N-(5-hydroxypentyl)-N-methylethanesulfonamide has a molecular weight of 225.31 g/mol, XLogP of -0.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(5-hydroxypentyl)-N-methylethanesulfonamide is sourced from PubChem (CID 107201393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).