(3-methoxycarbonyloxetan-3-yl)methanesulfinic acid

C6H10O5S — CID 165455383

IUPAC(3-methoxycarbonyloxetan-3-yl)methanesulfinic acid
SMILESCOC(=O)C1(CS(=O)O)COC1
InChIInChI=1S/C6H10O5S/c1-10-5(7)6(2-11-3-6)4-12(8)9/h2-4H2,1H3,(H,8,9)
InChIKeyWCKAENDYPDKGLF-UHFFFAOYSA-N
MW194.21 g/mol
LogP-0.60
Rot. Bonds3

About (3-methoxycarbonyloxetan-3-yl)methanesulfinic acid

(3-methoxycarbonyloxetan-3-yl)methanesulfinic acid (PubChem CID 165455383) has the molecular formula C6H10O5S and a molecular weight of 194.21 g/mol. Its IUPAC name is (3-methoxycarbonyloxetan-3-yl)methanesulfinic acid.

Molecular Properties

Compound Name(3-methoxycarbonyloxetan-3-yl)methanesulfinic acid
PubChem CID165455383
Molecular FormulaC6H10O5S
Molecular Weight194.21 g/mol
Exact Mass194.02
IUPAC Name(3-methoxycarbonyloxetan-3-yl)methanesulfinic acid
SMILESCOC(=O)C1(CS(=O)O)COC1
InChIInChI=1S/C6H10O5S/c1-10-5(7)6(2-11-3-6)4-12(8)9/h2-4H2,1H3,(H,8,9)
InChIKeyWCKAENDYPDKGLF-UHFFFAOYSA-N
XLogP-0.60
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3-methoxycarbonyloxetan-3-yl)methanesulfinic 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 (3-methoxycarbonyloxetan-3-yl)methanesulfinic acid?
The IUPAC name of (3-methoxycarbonyloxetan-3-yl)methanesulfinic acid (CID 165455383) is (3-methoxycarbonyloxetan-3-yl)methanesulfinic acid.
What is the SMILES notation for (3-methoxycarbonyloxetan-3-yl)methanesulfinic acid?
The canonical SMILES for (3-methoxycarbonyloxetan-3-yl)methanesulfinic acid is COC(=O)C1(CS(=O)O)COC1.
What is the InChIKey of (3-methoxycarbonyloxetan-3-yl)methanesulfinic acid?
The InChIKey is WCKAENDYPDKGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5S/c1-10-5(7)6(2-11-3-6)4-12(8)9/h2-4H2,1H3,(H,8,9).
What are the key properties of (3-methoxycarbonyloxetan-3-yl)methanesulfinic acid?
(3-methoxycarbonyloxetan-3-yl)methanesulfinic acid has a molecular weight of 194.21 g/mol, XLogP of -0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxycarbonyloxetan-3-yl)methanesulfinic acid is sourced from PubChem (CID 165455383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).