2-hydroxyethanesulfonic acid;2H-oxete

C5H10O5S — CID 87492139

IUPAC2-hydroxyethanesulfonic acid;2H-oxete
SMILESC1=COC1.O=S(=O)(O)CCO
InChIInChI=1S/C3H4O.C2H6O4S/c1-2-4-3-1;3-1-2-7(4,5)6/h1-2H,3H2;3H,1-2H2,(H,4,5,6)
InChIKeyUOZHKWJXSBMBAM-UHFFFAOYSA-N
MW182.20 g/mol
LogP-0.60
Rot. Bonds2

About 2-hydroxyethanesulfonic acid;2H-oxete

2-hydroxyethanesulfonic acid;2H-oxete (PubChem CID 87492139) has the molecular formula C5H10O5S and a molecular weight of 182.20 g/mol. Its IUPAC name is 2-hydroxyethanesulfonic acid;2H-oxete.

Molecular Properties

Compound Name2-hydroxyethanesulfonic acid;2H-oxete
PubChem CID87492139
Molecular FormulaC5H10O5S
Molecular Weight182.20 g/mol
Exact Mass182.02
IUPAC Name2-hydroxyethanesulfonic acid;2H-oxete
SMILESC1=COC1.O=S(=O)(O)CCO
InChIInChI=1S/C3H4O.C2H6O4S/c1-2-4-3-1;3-1-2-7(4,5)6/h1-2H,3H2;3H,1-2H2,(H,4,5,6)
InChIKeyUOZHKWJXSBMBAM-UHFFFAOYSA-N
XLogP-0.60
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-hydroxyethanesulfonic acid;2H-oxete 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-hydroxyethanesulfonic acid;2H-oxete?
The IUPAC name of 2-hydroxyethanesulfonic acid;2H-oxete (CID 87492139) is 2-hydroxyethanesulfonic acid;2H-oxete.
What is the SMILES notation for 2-hydroxyethanesulfonic acid;2H-oxete?
The canonical SMILES for 2-hydroxyethanesulfonic acid;2H-oxete is C1=COC1.O=S(=O)(O)CCO.
What is the InChIKey of 2-hydroxyethanesulfonic acid;2H-oxete?
The InChIKey is UOZHKWJXSBMBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O.C2H6O4S/c1-2-4-3-1;3-1-2-7(4,5)6/h1-2H,3H2;3H,1-2H2,(H,4,5,6).
What are the key properties of 2-hydroxyethanesulfonic acid;2H-oxete?
2-hydroxyethanesulfonic acid;2H-oxete has a molecular weight of 182.20 g/mol, XLogP of -0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethanesulfonic acid;2H-oxete is sourced from PubChem (CID 87492139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).