sodium;ethyl 2-methoxysulfonylprop-2-enoate;hydride

C6H11NaO5S — CID 174763999

IUPACsodium;ethyl 2-methoxysulfonylprop-2-enoate;hydride
SMILESC=C(C(=O)OCC)S(=O)(=O)OC.[H-].[Na+]
InChIInChI=1S/C6H10O5S.Na.H/c1-4-11-6(7)5(2)12(8,9)10-3;;/h2,4H2,1,3H3;;/q;+1;-1
InChIKeyIJGZVEJBIMJAEP-UHFFFAOYSA-N
MW218.21 g/mol
LogP-2.84
Rot. Bonds4

About sodium;ethyl 2-methoxysulfonylprop-2-enoate;hydride

sodium;ethyl 2-methoxysulfonylprop-2-enoate;hydride (PubChem CID 174763999) has the molecular formula C6H11NaO5S and a molecular weight of 218.21 g/mol. Its IUPAC name is sodium;ethyl 2-methoxysulfonylprop-2-enoate;hydride.

Molecular Properties

Compound Namesodium;ethyl 2-methoxysulfonylprop-2-enoate;hydride
PubChem CID174763999
Molecular FormulaC6H11NaO5S
Molecular Weight218.21 g/mol
Exact Mass218.02
IUPAC Namesodium;ethyl 2-methoxysulfonylprop-2-enoate;hydride
SMILESC=C(C(=O)OCC)S(=O)(=O)OC.[H-].[Na+]
InChIInChI=1S/C6H10O5S.Na.H/c1-4-11-6(7)5(2)12(8,9)10-3;;/h2,4H2,1,3H3;;/q;+1;-1
InChIKeyIJGZVEJBIMJAEP-UHFFFAOYSA-N
XLogP-2.84
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-2.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

sodium;ethyl 2-methylprop-2-enoate;hydride
CID 173442862
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethyl (2E)-2-cyano-4-methoxysulfonylpenta-2,4-dienoate
CID 89441085
ethyl 2-(methoxymethyl)prop-2-enoate
CID 20770134
sodium 3-ethoxy-3-oxoprop-1-en-2-olate
CID 87313714
ethyl 2-methylprop-2-enoate
CID 130475774
diethyl 2-methylidenepropanedioate;mercury
CID 174815236
ethyl 2-(ethylsulfonylamino)prop-2-enoate
CID 11469827
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethyl 2-methylprop-2-enoate;methane
CID 159235789
CID 159370772
CID 159370772

Frequently Asked Questions

What is the IUPAC name of sodium;ethyl 2-methoxysulfonylprop-2-enoate;hydride?
The IUPAC name of sodium;ethyl 2-methoxysulfonylprop-2-enoate;hydride (CID 174763999) is sodium;ethyl 2-methoxysulfonylprop-2-enoate;hydride.
What is the SMILES notation for sodium;ethyl 2-methoxysulfonylprop-2-enoate;hydride?
The canonical SMILES for sodium;ethyl 2-methoxysulfonylprop-2-enoate;hydride is C=C(C(=O)OCC)S(=O)(=O)OC.[H-].[Na+].
What is the InChIKey of sodium;ethyl 2-methoxysulfonylprop-2-enoate;hydride?
The InChIKey is IJGZVEJBIMJAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5S.Na.H/c1-4-11-6(7)5(2)12(8,9)10-3;;/h2,4H2,1,3H3;;/q;+1;-1.
What are the key properties of sodium;ethyl 2-methoxysulfonylprop-2-enoate;hydride?
sodium;ethyl 2-methoxysulfonylprop-2-enoate;hydride has a molecular weight of 218.21 g/mol, XLogP of -2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethyl 2-methoxysulfonylprop-2-enoate;hydride is sourced from PubChem (CID 174763999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).