ethenylsulfonyl 2-methylprop-2-enoate

C6H8O4S — CID 87143223

IUPACethenylsulfonyl 2-methylprop-2-enoate
SMILESC=CS(=O)(=O)OC(=O)C(=C)C
InChIInChI=1S/C6H8O4S/c1-4-11(8,9)10-6(7)5(2)3/h4H,1-2H2,3H3
InChIKeyJVTKAWJRRMIORH-UHFFFAOYSA-N
MW176.19 g/mol
LogP0.58
Rot. Bonds3

About ethenylsulfonyl 2-methylprop-2-enoate

ethenylsulfonyl 2-methylprop-2-enoate (PubChem CID 87143223) has the molecular formula C6H8O4S and a molecular weight of 176.19 g/mol. Its IUPAC name is ethenylsulfonyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameethenylsulfonyl 2-methylprop-2-enoate
PubChem CID87143223
Molecular FormulaC6H8O4S
Molecular Weight176.19 g/mol
Exact Mass176.01
IUPAC Nameethenylsulfonyl 2-methylprop-2-enoate
SMILESC=CS(=O)(=O)OC(=O)C(=C)C
InChIInChI=1S/C6H8O4S/c1-4-11(8,9)10-6(7)5(2)3/h4H,1-2H2,3H3
InChIKeyJVTKAWJRRMIORH-UHFFFAOYSA-N
XLogP0.58
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

azane;ethenylsulfonyl 2-methylprop-2-enoate
CID 88524432
1-aminoethenyl ethenesulfonate
CID 174374088
2-ethenoxyethyl 2-methylprop-2-enoate
CID 15105
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;hexakis(prop-1-ene)
CID 173226000
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;nonakis(prop-1-ene)
CID 173068986
ethenesulfonic acid;1-(2-methylprop-2-enoyloxy)ethanesulfonic acid
CID 19833290
ethenol;ethyl 2-methylprop-2-enoate
CID 174606807
2-methylbuta-1,3-diene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 87864709
1-(2-methylprop-2-enoyloxy)prop-2-ene-1-sulfonic acid
CID 87647233
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
oxaldehydoyl 2-methylprop-2-enoate
CID 87845932

Frequently Asked Questions

What is the IUPAC name of ethenylsulfonyl 2-methylprop-2-enoate?
The IUPAC name of ethenylsulfonyl 2-methylprop-2-enoate (CID 87143223) is ethenylsulfonyl 2-methylprop-2-enoate.
What is the SMILES notation for ethenylsulfonyl 2-methylprop-2-enoate?
The canonical SMILES for ethenylsulfonyl 2-methylprop-2-enoate is C=CS(=O)(=O)OC(=O)C(=C)C.
What is the InChIKey of ethenylsulfonyl 2-methylprop-2-enoate?
The InChIKey is JVTKAWJRRMIORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4S/c1-4-11(8,9)10-6(7)5(2)3/h4H,1-2H2,3H3.
What are the key properties of ethenylsulfonyl 2-methylprop-2-enoate?
ethenylsulfonyl 2-methylprop-2-enoate has a molecular weight of 176.19 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenylsulfonyl 2-methylprop-2-enoate is sourced from PubChem (CID 87143223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).