methyl 2-ethylsulfonylacetate

C5H10O4S — CID 14931217

IUPACmethyl 2-ethylsulfonylacetate
SMILESCCS(=O)(=O)CC(=O)OC
InChIInChI=1S/C5H10O4S/c1-3-10(7,8)4-5(6)9-2/h3-4H2,1-2H3
InChIKeyVKWSIYDRXGEJFJ-UHFFFAOYSA-N
MW166.20 g/mol
LogP-0.41
Rot. Bonds3

About methyl 2-ethylsulfonylacetate

methyl 2-ethylsulfonylacetate (PubChem CID 14931217) has the molecular formula C5H10O4S and a molecular weight of 166.20 g/mol. Its IUPAC name is methyl 2-ethylsulfonylacetate.

Molecular Properties

Compound Namemethyl 2-ethylsulfonylacetate
PubChem CID14931217
Molecular FormulaC5H10O4S
Molecular Weight166.20 g/mol
Exact Mass166.03
IUPAC Namemethyl 2-ethylsulfonylacetate
SMILESCCS(=O)(=O)CC(=O)OC
InChIInChI=1S/C5H10O4S/c1-3-10(7,8)4-5(6)9-2/h3-4H2,1-2H3
InChIKeyVKWSIYDRXGEJFJ-UHFFFAOYSA-N
XLogP-0.41
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethylsulfonylacetate?
The IUPAC name of methyl 2-ethylsulfonylacetate (CID 14931217) is methyl 2-ethylsulfonylacetate.
What is the SMILES notation for methyl 2-ethylsulfonylacetate?
The canonical SMILES for methyl 2-ethylsulfonylacetate is CCS(=O)(=O)CC(=O)OC.
What is the InChIKey of methyl 2-ethylsulfonylacetate?
The InChIKey is VKWSIYDRXGEJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4S/c1-3-10(7,8)4-5(6)9-2/h3-4H2,1-2H3.
What are the key properties of methyl 2-ethylsulfonylacetate?
methyl 2-ethylsulfonylacetate has a molecular weight of 166.20 g/mol, XLogP of -0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethylsulfonylacetate is sourced from PubChem (CID 14931217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).