methylsulfonylmethyl propanoate

C5H10O4S — CID 15788276

IUPACmethylsulfonylmethyl propanoate
SMILESCCC(=O)OCS(C)(=O)=O
InChIInChI=1S/C5H10O4S/c1-3-5(6)9-4-10(2,7)8/h3-4H2,1-2H3
InChIKeySAXVIGDOXHZMED-UHFFFAOYSA-N
MW166.20 g/mol
LogP-0.06
Rot. Bonds3

About methylsulfonylmethyl propanoate

methylsulfonylmethyl propanoate (PubChem CID 15788276) has the molecular formula C5H10O4S and a molecular weight of 166.20 g/mol. Its IUPAC name is methylsulfonylmethyl propanoate.

Molecular Properties

Compound Namemethylsulfonylmethyl propanoate
PubChem CID15788276
Molecular FormulaC5H10O4S
Molecular Weight166.20 g/mol
Exact Mass166.03
IUPAC Namemethylsulfonylmethyl propanoate
SMILESCCC(=O)OCS(C)(=O)=O
InChIInChI=1S/C5H10O4S/c1-3-5(6)9-4-10(2,7)8/h3-4H2,1-2H3
InChIKeySAXVIGDOXHZMED-UHFFFAOYSA-N
XLogP-0.06
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 ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methylsulfonylmethyl propanoate?
The IUPAC name of methylsulfonylmethyl propanoate (CID 15788276) is methylsulfonylmethyl propanoate.
What is the SMILES notation for methylsulfonylmethyl propanoate?
The canonical SMILES for methylsulfonylmethyl propanoate is CCC(=O)OCS(C)(=O)=O.
What is the InChIKey of methylsulfonylmethyl propanoate?
The InChIKey is SAXVIGDOXHZMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4S/c1-3-5(6)9-4-10(2,7)8/h3-4H2,1-2H3.
What are the key properties of methylsulfonylmethyl propanoate?
methylsulfonylmethyl propanoate has a molecular weight of 166.20 g/mol, XLogP of -0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonylmethyl propanoate is sourced from PubChem (CID 15788276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).