1-sulfonylpropan-2-ol

C3H6O3S — CID 19006771

IUPAC1-sulfonylpropan-2-ol
SMILESCC(O)C=S(=O)=O
InChIInChI=1S/C3H6O3S/c1-3(4)2-7(5)6/h2-4H,1H3
InChIKeyKWPSAFJSOBSYAI-UHFFFAOYSA-N
MW122.14 g/mol
LogP-0.95
Rot. Bonds1

About 1-sulfonylpropan-2-ol

1-sulfonylpropan-2-ol (PubChem CID 19006771) has the molecular formula C3H6O3S and a molecular weight of 122.14 g/mol. Its IUPAC name is 1-sulfonylpropan-2-ol.

Molecular Properties

Compound Name1-sulfonylpropan-2-ol
PubChem CID19006771
Molecular FormulaC3H6O3S
Molecular Weight122.14 g/mol
Exact Mass122.00
IUPAC Name1-sulfonylpropan-2-ol
SMILESCC(O)C=S(=O)=O
InChIInChI=1S/C3H6O3S/c1-3(4)2-7(5)6/h2-4H,1H3
InChIKeyKWPSAFJSOBSYAI-UHFFFAOYSA-N
XLogP-0.95
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.14
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-sulfonylpropan-2-ol 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 1-sulfonylpropan-2-ol?
The IUPAC name of 1-sulfonylpropan-2-ol (CID 19006771) is 1-sulfonylpropan-2-ol.
What is the SMILES notation for 1-sulfonylpropan-2-ol?
The canonical SMILES for 1-sulfonylpropan-2-ol is CC(O)C=S(=O)=O.
What is the InChIKey of 1-sulfonylpropan-2-ol?
The InChIKey is KWPSAFJSOBSYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3S/c1-3(4)2-7(5)6/h2-4H,1H3.
What are the key properties of 1-sulfonylpropan-2-ol?
1-sulfonylpropan-2-ol has a molecular weight of 122.14 g/mol, XLogP of -0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfonylpropan-2-ol is sourced from PubChem (CID 19006771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).