2-amino-5-hydroxypentane-1-sulfonic acid

C5H13NO4S — CID 11116697

IUPAC2-amino-5-hydroxypentane-1-sulfonic acid
SMILESNC(CCCO)CS(=O)(=O)O
InChIInChI=1S/C5H13NO4S/c6-5(2-1-3-7)4-11(8,9)10/h5,7H,1-4,6H2,(H,8,9,10)
InChIKeyYIXHLBNHJMKIII-UHFFFAOYSA-N
MW183.23 g/mol
LogP-1.03
Rot. Bonds5

About 2-amino-5-hydroxypentane-1-sulfonic acid

2-amino-5-hydroxypentane-1-sulfonic acid (PubChem CID 11116697) has the molecular formula C5H13NO4S and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-amino-5-hydroxypentane-1-sulfonic acid.

Molecular Properties

Compound Name2-amino-5-hydroxypentane-1-sulfonic acid
PubChem CID11116697
Molecular FormulaC5H13NO4S
Molecular Weight183.23 g/mol
Exact Mass183.06
IUPAC Name2-amino-5-hydroxypentane-1-sulfonic acid
SMILESNC(CCCO)CS(=O)(=O)O
InChIInChI=1S/C5H13NO4S/c6-5(2-1-3-7)4-11(8,9)10/h5,7H,1-4,6H2,(H,8,9,10)
InChIKeyYIXHLBNHJMKIII-UHFFFAOYSA-N
XLogP-1.03
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-amino-5-hydroxypentane-1-sulfonic acid 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 2-amino-5-hydroxypentane-1-sulfonic acid?
The IUPAC name of 2-amino-5-hydroxypentane-1-sulfonic acid (CID 11116697) is 2-amino-5-hydroxypentane-1-sulfonic acid.
What is the SMILES notation for 2-amino-5-hydroxypentane-1-sulfonic acid?
The canonical SMILES for 2-amino-5-hydroxypentane-1-sulfonic acid is NC(CCCO)CS(=O)(=O)O.
What is the InChIKey of 2-amino-5-hydroxypentane-1-sulfonic acid?
The InChIKey is YIXHLBNHJMKIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO4S/c6-5(2-1-3-7)4-11(8,9)10/h5,7H,1-4,6H2,(H,8,9,10).
What are the key properties of 2-amino-5-hydroxypentane-1-sulfonic acid?
2-amino-5-hydroxypentane-1-sulfonic acid has a molecular weight of 183.23 g/mol, XLogP of -1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydroxypentane-1-sulfonic acid is sourced from PubChem (CID 11116697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).