ethyl (2E)-2-(2-trimethylsilylethylsulfonylimino)acetate

C9H19NO4SSi — CID 135057148

IUPACethyl (2E)-2-(2-trimethylsilylethylsulfonylimino)acetate
SMILESCCOC(=O)/C=N/S(=O)(=O)CC[Si](C)(C)C
InChIInChI=1S/C9H19NO4SSi/c1-5-14-9(11)8-10-15(12,13)6-7-16(2,3)4/h8H,5-7H2,1-4H3/b10-8+
InChIKeyQHVKQKFQMZSOBK-CSKARUKUSA-N
MW265.41 g/mol
LogP1.29
Rot. Bonds6

About ethyl (2E)-2-(2-trimethylsilylethylsulfonylimino)acetate

ethyl (2E)-2-(2-trimethylsilylethylsulfonylimino)acetate (PubChem CID 135057148) has the molecular formula C9H19NO4SSi and a molecular weight of 265.41 g/mol. Its IUPAC name is ethyl (2E)-2-(2-trimethylsilylethylsulfonylimino)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-(2-trimethylsilylethylsulfonylimino)acetate
PubChem CID135057148
Molecular FormulaC9H19NO4SSi
Molecular Weight265.41 g/mol
Exact Mass265.08
IUPAC Nameethyl (2E)-2-(2-trimethylsilylethylsulfonylimino)acetate
SMILESCCOC(=O)/C=N/S(=O)(=O)CC[Si](C)(C)C
InChIInChI=1S/C9H19NO4SSi/c1-5-14-9(11)8-10-15(12,13)6-7-16(2,3)4/h8H,5-7H2,1-4H3/b10-8+
InChIKeyQHVKQKFQMZSOBK-CSKARUKUSA-N
XLogP1.29
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.41
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2E)-2-methylsulfonyliminoacetate
CID 177403590
ethyl 2-(2-trimethylsilylethylsulfonyl)acetate
CID 101109784
ethyl (2E)-2-(4-methylphenyl)sulfonyliminoacetate
CID 10923109
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
4-[2-(2-ethoxy-2-oxoethylidene)hydrazinyl]benzenesulfonic acid
CID 176888579
4-O-ethyl 1-O-(2-trimethylsilylethyl) 2-acetylbut-2-enedioate
CID 72580897
(E)-1-ethoxy-2-[(2-ethoxy-2-oxoethylidene)amino]ethenolate
CID 146163511
ethyl prop-2-enoate;methanesulfonic acid
CID 159762482
ethyl 2-phenyliminoacetate
CID 7095267
(2-ethoxy-2-oxoethylidene)rhodium
CID 135017037
diethyl (Z)-but-2-enedioate;ethanol
CID 161113311
ethene;ethyl prop-2-enoate;urea
CID 22098038

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-(2-trimethylsilylethylsulfonylimino)acetate?
The IUPAC name of ethyl (2E)-2-(2-trimethylsilylethylsulfonylimino)acetate (CID 135057148) is ethyl (2E)-2-(2-trimethylsilylethylsulfonylimino)acetate.
What is the SMILES notation for ethyl (2E)-2-(2-trimethylsilylethylsulfonylimino)acetate?
The canonical SMILES for ethyl (2E)-2-(2-trimethylsilylethylsulfonylimino)acetate is CCOC(=O)/C=N/S(=O)(=O)CC[Si](C)(C)C.
What is the InChIKey of ethyl (2E)-2-(2-trimethylsilylethylsulfonylimino)acetate?
The InChIKey is QHVKQKFQMZSOBK-CSKARUKUSA-N. The full InChI is InChI=1S/C9H19NO4SSi/c1-5-14-9(11)8-10-15(12,13)6-7-16(2,3)4/h8H,5-7H2,1-4H3/b10-8+.
What are the key properties of ethyl (2E)-2-(2-trimethylsilylethylsulfonylimino)acetate?
ethyl (2E)-2-(2-trimethylsilylethylsulfonylimino)acetate has a molecular weight of 265.41 g/mol, XLogP of 1.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(2-trimethylsilylethylsulfonylimino)acetate is sourced from PubChem (CID 135057148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).