ethenylsulfonyl propanoate

C5H8O4S — CID 174963868

IUPACethenylsulfonyl propanoate
SMILESC=CS(=O)(=O)OC(=O)CC
InChIInChI=1S/C5H8O4S/c1-3-5(6)9-10(7,8)4-2/h4H,2-3H2,1H3
InChIKeyXLNNKBWRMLGQJZ-UHFFFAOYSA-N
MW164.18 g/mol
LogP0.41
Rot. Bonds3

About ethenylsulfonyl propanoate

ethenylsulfonyl propanoate (PubChem CID 174963868) has the molecular formula C5H8O4S and a molecular weight of 164.18 g/mol. Its IUPAC name is ethenylsulfonyl propanoate.

Molecular Properties

Compound Nameethenylsulfonyl propanoate
PubChem CID174963868
Molecular FormulaC5H8O4S
Molecular Weight164.18 g/mol
Exact Mass164.01
IUPAC Nameethenylsulfonyl propanoate
SMILESC=CS(=O)(=O)OC(=O)CC
InChIInChI=1S/C5H8O4S/c1-3-5(6)9-10(7,8)4-2/h4H,2-3H2,1H3
InChIKeyXLNNKBWRMLGQJZ-UHFFFAOYSA-N
XLogP0.41
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

prop-2-enoylsulfamoyl propanoate
CID 174441844
O-ethenylsulfonyl butanethioate
CID 89312425
ethenylsulfonyl 2-methylprop-2-enoate
CID 87143223
azane;ethenylsulfonyl 2-methylprop-2-enoate
CID 88524432
1-aminoethenyl ethenesulfonate
CID 174374088
buta-1,3-dien-2-yl propanoate
CID 89118213
azane;prop-2-enyl propanoate
CID 87729437
propanoyl (113C)propanoate
CID 91179573
chloromethane;prop-2-enyl propanoate
CID 174815872
propan-2-one;prop-2-enyl propanoate
CID 174904905
methyl propanoate;sulfuryl difluoride
CID 146421317
lithium;hydride;methyl propanoate
CID 174158387

Frequently Asked Questions

What is the IUPAC name of ethenylsulfonyl propanoate?
The IUPAC name of ethenylsulfonyl propanoate (CID 174963868) is ethenylsulfonyl propanoate.
What is the SMILES notation for ethenylsulfonyl propanoate?
The canonical SMILES for ethenylsulfonyl propanoate is C=CS(=O)(=O)OC(=O)CC.
What is the InChIKey of ethenylsulfonyl propanoate?
The InChIKey is XLNNKBWRMLGQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4S/c1-3-5(6)9-10(7,8)4-2/h4H,2-3H2,1H3.
What are the key properties of ethenylsulfonyl propanoate?
ethenylsulfonyl propanoate has a molecular weight of 164.18 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 ethenylsulfonyl propanoate is sourced from PubChem (CID 174963868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).