2-[(3R)-oxolan-3-yl]propane-1-sulfonic acid

C7H14O4S — CID 175270950

IUPAC2-[(3R)-oxolan-3-yl]propane-1-sulfonic acid
SMILESCC(CS(=O)(=O)O)[C@H]1CCOC1
InChIInChI=1S/C7H14O4S/c1-6(5-12(8,9)10)7-2-3-11-4-7/h6-7H,2-5H2,1H3,(H,8,9,10)/t6?,7-/m0/s1
InChIKeyZPKHEIHMSOHXLW-MLWJPKLSSA-N
MW194.25 g/mol
LogP0.55
Rot. Bonds3

About 2-[(3R)-oxolan-3-yl]propane-1-sulfonic acid

2-[(3R)-oxolan-3-yl]propane-1-sulfonic acid (PubChem CID 175270950) has the molecular formula C7H14O4S and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-[(3R)-oxolan-3-yl]propane-1-sulfonic acid.

Molecular Properties

Compound Name2-[(3R)-oxolan-3-yl]propane-1-sulfonic acid
PubChem CID175270950
Molecular FormulaC7H14O4S
Molecular Weight194.25 g/mol
Exact Mass194.06
IUPAC Name2-[(3R)-oxolan-3-yl]propane-1-sulfonic acid
SMILESCC(CS(=O)(=O)O)[C@H]1CCOC1
InChIInChI=1S/C7H14O4S/c1-6(5-12(8,9)10)7-2-3-11-4-7/h6-7H,2-5H2,1H3,(H,8,9,10)/t6?,7-/m0/s1
InChIKeyZPKHEIHMSOHXLW-MLWJPKLSSA-N
XLogP0.55
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-oxolan-3-yl]propane-1-sulfonic acid?
The IUPAC name of 2-[(3R)-oxolan-3-yl]propane-1-sulfonic acid (CID 175270950) is 2-[(3R)-oxolan-3-yl]propane-1-sulfonic acid.
What is the SMILES notation for 2-[(3R)-oxolan-3-yl]propane-1-sulfonic acid?
The canonical SMILES for 2-[(3R)-oxolan-3-yl]propane-1-sulfonic acid is CC(CS(=O)(=O)O)[C@H]1CCOC1.
What is the InChIKey of 2-[(3R)-oxolan-3-yl]propane-1-sulfonic acid?
The InChIKey is ZPKHEIHMSOHXLW-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H14O4S/c1-6(5-12(8,9)10)7-2-3-11-4-7/h6-7H,2-5H2,1H3,(H,8,9,10)/t6?,7-/m0/s1.
What are the key properties of 2-[(3R)-oxolan-3-yl]propane-1-sulfonic acid?
2-[(3R)-oxolan-3-yl]propane-1-sulfonic acid has a molecular weight of 194.25 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-oxolan-3-yl]propane-1-sulfonic acid is sourced from PubChem (CID 175270950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).