[(3S)-5-oxooxolan-3-yl] methanesulfonate

C5H8O5S — CID 11126848

IUPAC[(3S)-5-oxooxolan-3-yl] methanesulfonate
SMILESCS(=O)(=O)O[C@@H]1COC(=O)C1
InChIInChI=1S/C5H8O5S/c1-11(7,8)10-4-2-5(6)9-3-4/h4H,2-3H2,1H3/t4-/m0/s1
InChIKeyWRXBVGNVTACACC-BYPYZUCNSA-N
MW180.18 g/mol
LogP-0.72
Rot. Bonds2

About [(3S)-5-oxooxolan-3-yl] methanesulfonate

[(3S)-5-oxooxolan-3-yl] methanesulfonate (PubChem CID 11126848) has the molecular formula C5H8O5S and a molecular weight of 180.18 g/mol. Its IUPAC name is [(3S)-5-oxooxolan-3-yl] methanesulfonate.

Molecular Properties

Compound Name[(3S)-5-oxooxolan-3-yl] methanesulfonate
PubChem CID11126848
Molecular FormulaC5H8O5S
Molecular Weight180.18 g/mol
Exact Mass180.01
IUPAC Name[(3S)-5-oxooxolan-3-yl] methanesulfonate
SMILESCS(=O)(=O)O[C@@H]1COC(=O)C1
InChIInChI=1S/C5H8O5S/c1-11(7,8)10-4-2-5(6)9-3-4/h4H,2-3H2,1H3/t4-/m0/s1
InChIKeyWRXBVGNVTACACC-BYPYZUCNSA-N
XLogP-0.72
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 5-0.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3S)-5-oxooxolan-3-yl] methanesulfonate?
The IUPAC name of [(3S)-5-oxooxolan-3-yl] methanesulfonate (CID 11126848) is [(3S)-5-oxooxolan-3-yl] methanesulfonate.
What is the SMILES notation for [(3S)-5-oxooxolan-3-yl] methanesulfonate?
The canonical SMILES for [(3S)-5-oxooxolan-3-yl] methanesulfonate is CS(=O)(=O)O[C@@H]1COC(=O)C1.
What is the InChIKey of [(3S)-5-oxooxolan-3-yl] methanesulfonate?
The InChIKey is WRXBVGNVTACACC-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8O5S/c1-11(7,8)10-4-2-5(6)9-3-4/h4H,2-3H2,1H3/t4-/m0/s1.
What are the key properties of [(3S)-5-oxooxolan-3-yl] methanesulfonate?
[(3S)-5-oxooxolan-3-yl] methanesulfonate has a molecular weight of 180.18 g/mol, XLogP of -0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-5-oxooxolan-3-yl] methanesulfonate is sourced from PubChem (CID 11126848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).