ethyl 2-(S-phenyl-N-trimethylsilylsulfonimidoyl)acetate

C13H21NO3SSi — CID 76585238

IUPACethyl 2-(S-phenyl-N-trimethylsilylsulfonimidoyl)acetate
SMILESCCOC(=O)CS(=O)(=N[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C13H21NO3SSi/c1-5-17-13(15)11-18(16,14-19(2,3)4)12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3
InChIKeyIMZVIPVSPLQTIV-UHFFFAOYSA-N
MW299.47 g/mol
LogP2.91
Rot. Bonds5

About ethyl 2-(S-phenyl-N-trimethylsilylsulfonimidoyl)acetate

ethyl 2-(S-phenyl-N-trimethylsilylsulfonimidoyl)acetate (PubChem CID 76585238) has the molecular formula C13H21NO3SSi and a molecular weight of 299.47 g/mol. Its IUPAC name is ethyl 2-(S-phenyl-N-trimethylsilylsulfonimidoyl)acetate.

Molecular Properties

Compound Nameethyl 2-(S-phenyl-N-trimethylsilylsulfonimidoyl)acetate
PubChem CID76585238
Molecular FormulaC13H21NO3SSi
Molecular Weight299.47 g/mol
Exact Mass299.10
IUPAC Nameethyl 2-(S-phenyl-N-trimethylsilylsulfonimidoyl)acetate
SMILESCCOC(=O)CS(=O)(=N[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C13H21NO3SSi/c1-5-17-13(15)11-18(16,14-19(2,3)4)12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3
InChIKeyIMZVIPVSPLQTIV-UHFFFAOYSA-N
XLogP2.91
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.47
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(S-phenyl-N-trimethylsilylsulfonimidoyl)acetate?
The IUPAC name of ethyl 2-(S-phenyl-N-trimethylsilylsulfonimidoyl)acetate (CID 76585238) is ethyl 2-(S-phenyl-N-trimethylsilylsulfonimidoyl)acetate.
What is the SMILES notation for ethyl 2-(S-phenyl-N-trimethylsilylsulfonimidoyl)acetate?
The canonical SMILES for ethyl 2-(S-phenyl-N-trimethylsilylsulfonimidoyl)acetate is CCOC(=O)CS(=O)(=N[Si](C)(C)C)c1ccccc1.
What is the InChIKey of ethyl 2-(S-phenyl-N-trimethylsilylsulfonimidoyl)acetate?
The InChIKey is IMZVIPVSPLQTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3SSi/c1-5-17-13(15)11-18(16,14-19(2,3)4)12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3.
What are the key properties of ethyl 2-(S-phenyl-N-trimethylsilylsulfonimidoyl)acetate?
ethyl 2-(S-phenyl-N-trimethylsilylsulfonimidoyl)acetate has a molecular weight of 299.47 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(S-phenyl-N-trimethylsilylsulfonimidoyl)acetate is sourced from PubChem (CID 76585238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).