ethyl (2E)-2-methylsulfonyliminoacetate

C5H9NO4S — CID 177403590

IUPACethyl (2E)-2-methylsulfonyliminoacetate
SMILESCCOC(=O)/C=N/S(C)(=O)=O
InChIInChI=1S/C5H9NO4S/c1-3-10-5(7)4-6-11(2,8)9/h4H,3H2,1-2H3/b6-4+
InChIKeyFERFBWKZGXKRFO-GQCTYLIASA-N
MW179.20 g/mol
LogP-0.42
Rot. Bonds3

About ethyl (2E)-2-methylsulfonyliminoacetate

ethyl (2E)-2-methylsulfonyliminoacetate (PubChem CID 177403590) has the molecular formula C5H9NO4S and a molecular weight of 179.20 g/mol. Its IUPAC name is ethyl (2E)-2-methylsulfonyliminoacetate.

Molecular Properties

Compound Nameethyl (2E)-2-methylsulfonyliminoacetate
PubChem CID177403590
Molecular FormulaC5H9NO4S
Molecular Weight179.20 g/mol
Exact Mass179.03
IUPAC Nameethyl (2E)-2-methylsulfonyliminoacetate
SMILESCCOC(=O)/C=N/S(C)(=O)=O
InChIInChI=1S/C5H9NO4S/c1-3-10-5(7)4-6-11(2,8)9/h4H,3H2,1-2H3/b6-4+
InChIKeyFERFBWKZGXKRFO-GQCTYLIASA-N
XLogP-0.42
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (2E)-2-(2-trimethylsilylethylsulfonylimino)acetate
CID 135057148
ethyl (2E)-2-(4-methylphenyl)sulfonyliminoacetate
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(2-ethoxy-2-oxoethylidene)rhodium
CID 135017037
diethyl (Z)-but-2-enedioate;ethanol
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Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-methylsulfonyliminoacetate?
The IUPAC name of ethyl (2E)-2-methylsulfonyliminoacetate (CID 177403590) is ethyl (2E)-2-methylsulfonyliminoacetate.
What is the SMILES notation for ethyl (2E)-2-methylsulfonyliminoacetate?
The canonical SMILES for ethyl (2E)-2-methylsulfonyliminoacetate is CCOC(=O)/C=N/S(C)(=O)=O.
What is the InChIKey of ethyl (2E)-2-methylsulfonyliminoacetate?
The InChIKey is FERFBWKZGXKRFO-GQCTYLIASA-N. The full InChI is InChI=1S/C5H9NO4S/c1-3-10-5(7)4-6-11(2,8)9/h4H,3H2,1-2H3/b6-4+.
What are the key properties of ethyl (2E)-2-methylsulfonyliminoacetate?
ethyl (2E)-2-methylsulfonyliminoacetate has a molecular weight of 179.20 g/mol, XLogP of -0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-methylsulfonyliminoacetate is sourced from PubChem (CID 177403590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).