3-oxo-3-(2-oxooxolan-3-yl)oxypropane-1-sulfonate

C7H9O7S- — CID 140645541

IUPAC3-oxo-3-(2-oxooxolan-3-yl)oxypropane-1-sulfonate
SMILESO=C(CCS(=O)(=O)[O-])OC1CCOC1=O
InChIInChI=1S/C7H10O7S/c8-6(2-4-15(10,11)12)14-5-1-3-13-7(5)9/h5H,1-4H2,(H,10,11,12)/p-1
InChIKeyALNVUQWEDHMVIA-UHFFFAOYSA-M
MW237.21 g/mol
LogP-1.22
Rot. Bonds4

About 3-oxo-3-(2-oxooxolan-3-yl)oxypropane-1-sulfonate

3-oxo-3-(2-oxooxolan-3-yl)oxypropane-1-sulfonate (PubChem CID 140645541) has the molecular formula C7H9O7S- and a molecular weight of 237.21 g/mol. Its IUPAC name is 3-oxo-3-(2-oxooxolan-3-yl)oxypropane-1-sulfonate.

Molecular Properties

Compound Name3-oxo-3-(2-oxooxolan-3-yl)oxypropane-1-sulfonate
PubChem CID140645541
Molecular FormulaC7H9O7S-
Molecular Weight237.21 g/mol
Exact Mass237.01
IUPAC Name3-oxo-3-(2-oxooxolan-3-yl)oxypropane-1-sulfonate
SMILESO=C(CCS(=O)(=O)[O-])OC1CCOC1=O
InChIInChI=1S/C7H10O7S/c8-6(2-4-15(10,11)12)14-5-1-3-13-7(5)9/h5H,1-4H2,(H,10,11,12)/p-1
InChIKeyALNVUQWEDHMVIA-UHFFFAOYSA-M
XLogP-1.22
TPSA109.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 5-1.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-oxo-3-(2-oxooxolan-3-yl)oxypropane-1-sulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-Difluoro-2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate
CID 58021581
[(3S)-2-oxooxolan-3-yl] methanesulfonate
CID 15908086
2(3H)-Furanone, dihydro-3-[(methylsulfonyl)oxy]-, (3R)-
CID 11423928
2-Oxooxolan-3-yl 3-sulfanylpropanoate
CID 45091457
(2-Oxooxolan-3-yl) methanesulfonate
CID 72956293
1,4-Dioxo-1,4-bis[(2-oxooxolan-3-yl)oxy]butane-2-sulfonic acid
CID 88573673
(3-Methyl-2,2-dioxooxathiolan-4-yl) butanoate
CID 90002331
(5-Methyl-2,2-dioxooxathiolan-4-yl) butanoate
CID 90002368
(2,2-Dioxooxathiolan-4-yl) butanoate
CID 90002762
(3-Methyl-2,2-dioxooxathiolan-4-yl) propanoate
CID 90002794
2-Oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonic acid
CID 90246311
3-Oxo-3-(2-oxooxolan-3-yl)oxypropane-1-sulfonic acid
CID 90246331

Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-(2-oxooxolan-3-yl)oxypropane-1-sulfonate?
The IUPAC name of 3-oxo-3-(2-oxooxolan-3-yl)oxypropane-1-sulfonate (CID 140645541) is 3-oxo-3-(2-oxooxolan-3-yl)oxypropane-1-sulfonate.
What is the SMILES notation for 3-oxo-3-(2-oxooxolan-3-yl)oxypropane-1-sulfonate?
The canonical SMILES for 3-oxo-3-(2-oxooxolan-3-yl)oxypropane-1-sulfonate is O=C(CCS(=O)(=O)[O-])OC1CCOC1=O.
What is the InChIKey of 3-oxo-3-(2-oxooxolan-3-yl)oxypropane-1-sulfonate?
The InChIKey is ALNVUQWEDHMVIA-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H10O7S/c8-6(2-4-15(10,11)12)14-5-1-3-13-7(5)9/h5H,1-4H2,(H,10,11,12)/p-1.
What are the key properties of 3-oxo-3-(2-oxooxolan-3-yl)oxypropane-1-sulfonate?
3-oxo-3-(2-oxooxolan-3-yl)oxypropane-1-sulfonate has a molecular weight of 237.21 g/mol, XLogP of -1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-(2-oxooxolan-3-yl)oxypropane-1-sulfonate is sourced from PubChem (CID 140645541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).