2-(1-hydroxypropan-2-yloxy)ethanesulfonic acid

C5H12O5S — CID 19937035

IUPAC2-(1-hydroxypropan-2-yloxy)ethanesulfonic acid
SMILESCC(CO)OCCS(=O)(=O)O
InChIInChI=1S/C5H12O5S/c1-5(4-6)10-2-3-11(7,8)9/h5-6H,2-4H2,1H3,(H,7,8,9)
InChIKeyGUEMALJNCOEQRH-UHFFFAOYSA-N
MW184.21 g/mol
LogP-0.73
Rot. Bonds5

About 2-(1-hydroxypropan-2-yloxy)ethanesulfonic acid

2-(1-hydroxypropan-2-yloxy)ethanesulfonic acid (PubChem CID 19937035) has the molecular formula C5H12O5S and a molecular weight of 184.21 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-yloxy)ethanesulfonic acid.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-yloxy)ethanesulfonic acid
PubChem CID19937035
Molecular FormulaC5H12O5S
Molecular Weight184.21 g/mol
Exact Mass184.04
IUPAC Name2-(1-hydroxypropan-2-yloxy)ethanesulfonic acid
SMILESCC(CO)OCCS(=O)(=O)O
InChIInChI=1S/C5H12O5S/c1-5(4-6)10-2-3-11(7,8)9/h5-6H,2-4H2,1H3,(H,7,8,9)
InChIKeyGUEMALJNCOEQRH-UHFFFAOYSA-N
XLogP-0.73
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1-hydroxypropan-2-yloxy)ethanesulfonic 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-(1-hydroxypropan-2-yloxy)ethanesulfonic acid?
The IUPAC name of 2-(1-hydroxypropan-2-yloxy)ethanesulfonic acid (CID 19937035) is 2-(1-hydroxypropan-2-yloxy)ethanesulfonic acid.
What is the SMILES notation for 2-(1-hydroxypropan-2-yloxy)ethanesulfonic acid?
The canonical SMILES for 2-(1-hydroxypropan-2-yloxy)ethanesulfonic acid is CC(CO)OCCS(=O)(=O)O.
What is the InChIKey of 2-(1-hydroxypropan-2-yloxy)ethanesulfonic acid?
The InChIKey is GUEMALJNCOEQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O5S/c1-5(4-6)10-2-3-11(7,8)9/h5-6H,2-4H2,1H3,(H,7,8,9).
What are the key properties of 2-(1-hydroxypropan-2-yloxy)ethanesulfonic acid?
2-(1-hydroxypropan-2-yloxy)ethanesulfonic acid has a molecular weight of 184.21 g/mol, XLogP of -0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-yloxy)ethanesulfonic acid is sourced from PubChem (CID 19937035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).