methyl 3-(2-methoxy-2-oxoethyl)sulfonylpropanoate

C7H12O6S — CID 43617855

IUPACmethyl 3-(2-methoxy-2-oxoethyl)sulfonylpropanoate
SMILESCOC(=O)CCS(=O)(=O)CC(=O)OC
InChIInChI=1S/C7H12O6S/c1-12-6(8)3-4-14(10,11)5-7(9)13-2/h3-5H2,1-2H3
InChIKeyVMEAZERDLVKZRY-UHFFFAOYSA-N
MW224.23 g/mol
LogP-0.86
Rot. Bonds5

About methyl 3-(2-methoxy-2-oxoethyl)sulfonylpropanoate

methyl 3-(2-methoxy-2-oxoethyl)sulfonylpropanoate (PubChem CID 43617855) has the molecular formula C7H12O6S and a molecular weight of 224.23 g/mol. Its IUPAC name is methyl 3-(2-methoxy-2-oxoethyl)sulfonylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2-methoxy-2-oxoethyl)sulfonylpropanoate
PubChem CID43617855
Molecular FormulaC7H12O6S
Molecular Weight224.23 g/mol
Exact Mass224.04
IUPAC Namemethyl 3-(2-methoxy-2-oxoethyl)sulfonylpropanoate
SMILESCOC(=O)CCS(=O)(=O)CC(=O)OC
InChIInChI=1S/C7H12O6S/c1-12-6(8)3-4-14(10,11)5-7(9)13-2/h3-5H2,1-2H3
InChIKeyVMEAZERDLVKZRY-UHFFFAOYSA-N
XLogP-0.86
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 5-0.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-(2-methoxy-2-oxoethyl)sulfonylpropanoate 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 methyl 3-(2-methoxy-2-oxoethyl)sulfonylpropanoate?
The IUPAC name of methyl 3-(2-methoxy-2-oxoethyl)sulfonylpropanoate (CID 43617855) is methyl 3-(2-methoxy-2-oxoethyl)sulfonylpropanoate.
What is the SMILES notation for methyl 3-(2-methoxy-2-oxoethyl)sulfonylpropanoate?
The canonical SMILES for methyl 3-(2-methoxy-2-oxoethyl)sulfonylpropanoate is COC(=O)CCS(=O)(=O)CC(=O)OC.
What is the InChIKey of methyl 3-(2-methoxy-2-oxoethyl)sulfonylpropanoate?
The InChIKey is VMEAZERDLVKZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O6S/c1-12-6(8)3-4-14(10,11)5-7(9)13-2/h3-5H2,1-2H3.
What are the key properties of methyl 3-(2-methoxy-2-oxoethyl)sulfonylpropanoate?
methyl 3-(2-methoxy-2-oxoethyl)sulfonylpropanoate has a molecular weight of 224.23 g/mol, XLogP of -0.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methoxy-2-oxoethyl)sulfonylpropanoate is sourced from PubChem (CID 43617855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).