sodium;ethenesulfonate;ethenyl propanoate

C7H11NaO5S — CID 158909317

IUPACsodium;ethenesulfonate;ethenyl propanoate
SMILESC=COC(=O)CC.C=CS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C5H8O2.C2H4O3S.Na/c1-3-5(6)7-4-2;1-2-6(3,4)5;/h4H,2-3H2,1H3;2H,1H2,(H,3,4,5);/q;;+1/p-1
InChIKeyJGLARGMSJZNJLM-UHFFFAOYSA-M
MW230.22 g/mol
LogP-2.24
Rot. Bonds3

About sodium;ethenesulfonate;ethenyl propanoate

sodium;ethenesulfonate;ethenyl propanoate (PubChem CID 158909317) has the molecular formula C7H11NaO5S and a molecular weight of 230.22 g/mol. Its IUPAC name is sodium;ethenesulfonate;ethenyl propanoate.

Molecular Properties

Compound Namesodium;ethenesulfonate;ethenyl propanoate
PubChem CID158909317
Molecular FormulaC7H11NaO5S
Molecular Weight230.22 g/mol
Exact Mass230.02
IUPAC Namesodium;ethenesulfonate;ethenyl propanoate
SMILESC=COC(=O)CC.C=CS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C5H8O2.C2H4O3S.Na/c1-3-5(6)7-4-2;1-2-6(3,4)5;/h4H,2-3H2,1H3;2H,1H2,(H,3,4,5);/q;;+1/p-1
InChIKeyJGLARGMSJZNJLM-UHFFFAOYSA-M
XLogP-2.24
TPSA83.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-2.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

[(E)-2-fluorosulfonylethenyl] butanoate
CID 176438558
Ethenesulfonic acid;ethenyl acetate
CID 20239941
Ethenyl 2-methoxyperoxysulfanylpropanoate
CID 20767322
Vinyl acetate sodium allylsulfonate
CID 86733457
Sodium 2-ethenoxy-2-oxoethanesulfonate
CID 88838700
Methyl 2-ethenoxysulfonylacetate
CID 90310107
4-Ethenoxy-4-oxobutane-2-sulfonic acid
CID 101647037
2-Propanoyloxyethenesulfonic acid
CID 123203448
Vinyl acetate sodium ethylenesulfonate
CID 131710246
Ethenyl acetate;propane-1-sulfonic acid
CID 158436375
Ethanesulfonic acid;ethenyl acetate
CID 162235632
Ethenyl 4-chlorosulfonylbutanoate
CID 170444807

Frequently Asked Questions

What is the IUPAC name of sodium;ethenesulfonate;ethenyl propanoate?
The IUPAC name of sodium;ethenesulfonate;ethenyl propanoate (CID 158909317) is sodium;ethenesulfonate;ethenyl propanoate.
What is the SMILES notation for sodium;ethenesulfonate;ethenyl propanoate?
The canonical SMILES for sodium;ethenesulfonate;ethenyl propanoate is C=COC(=O)CC.C=CS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium;ethenesulfonate;ethenyl propanoate?
The InChIKey is JGLARGMSJZNJLM-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H8O2.C2H4O3S.Na/c1-3-5(6)7-4-2;1-2-6(3,4)5;/h4H,2-3H2,1H3;2H,1H2,(H,3,4,5);/q;;+1/p-1.
What are the key properties of sodium;ethenesulfonate;ethenyl propanoate?
sodium;ethenesulfonate;ethenyl propanoate has a molecular weight of 230.22 g/mol, XLogP of -2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethenesulfonate;ethenyl propanoate is sourced from PubChem (CID 158909317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).