2-ethenylsulfonylethyl prop-2-enoate

C7H10O4S — CID 88560148

IUPAC2-ethenylsulfonylethyl prop-2-enoate
SMILESC=CC(=O)OCCS(=O)(=O)C=C
InChIInChI=1S/C7H10O4S/c1-3-7(8)11-5-6-12(9,10)4-2/h3-4H,1-2,5-6H2
InChIKeyIPYASRBHNAYBSY-UHFFFAOYSA-N
MW190.22 g/mol
LogP0.27
Rot. Bonds5

About 2-ethenylsulfonylethyl prop-2-enoate

2-ethenylsulfonylethyl prop-2-enoate (PubChem CID 88560148) has the molecular formula C7H10O4S and a molecular weight of 190.22 g/mol. Its IUPAC name is 2-ethenylsulfonylethyl prop-2-enoate.

Molecular Properties

Compound Name2-ethenylsulfonylethyl prop-2-enoate
PubChem CID88560148
Molecular FormulaC7H10O4S
Molecular Weight190.22 g/mol
Exact Mass190.03
IUPAC Name2-ethenylsulfonylethyl prop-2-enoate
SMILESC=CC(=O)OCCS(=O)(=O)C=C
InChIInChI=1S/C7H10O4S/c1-3-7(8)11-5-6-12(9,10)4-2/h3-4H,1-2,5-6H2
InChIKeyIPYASRBHNAYBSY-UHFFFAOYSA-N
XLogP0.27
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfonylethyl prop-2-enoate?
The IUPAC name of 2-ethenylsulfonylethyl prop-2-enoate (CID 88560148) is 2-ethenylsulfonylethyl prop-2-enoate.
What is the SMILES notation for 2-ethenylsulfonylethyl prop-2-enoate?
The canonical SMILES for 2-ethenylsulfonylethyl prop-2-enoate is C=CC(=O)OCCS(=O)(=O)C=C.
What is the InChIKey of 2-ethenylsulfonylethyl prop-2-enoate?
The InChIKey is IPYASRBHNAYBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4S/c1-3-7(8)11-5-6-12(9,10)4-2/h3-4H,1-2,5-6H2.
What are the key properties of 2-ethenylsulfonylethyl prop-2-enoate?
2-ethenylsulfonylethyl prop-2-enoate has a molecular weight of 190.22 g/mol, XLogP of 0.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfonylethyl prop-2-enoate is sourced from PubChem (CID 88560148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).