trimethylsilyl 4-(trideuteriomethylsulfanyl)-2-(trimethylsilylamino)butanoate

C11H27NO2SSi2 — CID 91747817

IUPACtrimethylsilyl 4-(trideuteriomethylsulfanyl)-2-(trimethylsilylamino)butanoate
SMILES[2H]C([2H])([2H])SCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C11H27NO2SSi2/c1-15-9-8-10(12-16(2,3)4)11(13)14-17(5,6)7/h10,12H,8-9H2,1-7H3/i1D3
InChIKeyJATQZWJTOMUJCG-FIBGUPNXSA-N
MW296.60 g/mol
LogP2.91
Rot. Bonds8

About trimethylsilyl 4-(trideuteriomethylsulfanyl)-2-(trimethylsilylamino)butanoate

trimethylsilyl 4-(trideuteriomethylsulfanyl)-2-(trimethylsilylamino)butanoate (PubChem CID 91747817) has the molecular formula C11H27NO2SSi2 and a molecular weight of 296.60 g/mol. Its IUPAC name is trimethylsilyl 4-(trideuteriomethylsulfanyl)-2-(trimethylsilylamino)butanoate.

Molecular Properties

Compound Nametrimethylsilyl 4-(trideuteriomethylsulfanyl)-2-(trimethylsilylamino)butanoate
PubChem CID91747817
Molecular FormulaC11H27NO2SSi2
Molecular Weight296.60 g/mol
Exact Mass296.15
IUPAC Nametrimethylsilyl 4-(trideuteriomethylsulfanyl)-2-(trimethylsilylamino)butanoate
SMILES[2H]C([2H])([2H])SCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C11H27NO2SSi2/c1-15-9-8-10(12-16(2,3)4)11(13)14-17(5,6)7/h10,12H,8-9H2,1-7H3/i1D3
InChIKeyJATQZWJTOMUJCG-FIBGUPNXSA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.60
LogP ≤ 52.91
H-Bond Donors ≤ 51
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 trimethylsilyl 4-(trideuteriomethylsulfanyl)-2-(trimethylsilylamino)butanoate?
The IUPAC name of trimethylsilyl 4-(trideuteriomethylsulfanyl)-2-(trimethylsilylamino)butanoate (CID 91747817) is trimethylsilyl 4-(trideuteriomethylsulfanyl)-2-(trimethylsilylamino)butanoate.
What is the SMILES notation for trimethylsilyl 4-(trideuteriomethylsulfanyl)-2-(trimethylsilylamino)butanoate?
The canonical SMILES for trimethylsilyl 4-(trideuteriomethylsulfanyl)-2-(trimethylsilylamino)butanoate is [2H]C([2H])([2H])SCCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 4-(trideuteriomethylsulfanyl)-2-(trimethylsilylamino)butanoate?
The InChIKey is JATQZWJTOMUJCG-FIBGUPNXSA-N. The full InChI is InChI=1S/C11H27NO2SSi2/c1-15-9-8-10(12-16(2,3)4)11(13)14-17(5,6)7/h10,12H,8-9H2,1-7H3/i1D3.
What are the key properties of trimethylsilyl 4-(trideuteriomethylsulfanyl)-2-(trimethylsilylamino)butanoate?
trimethylsilyl 4-(trideuteriomethylsulfanyl)-2-(trimethylsilylamino)butanoate has a molecular weight of 296.60 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 4-(trideuteriomethylsulfanyl)-2-(trimethylsilylamino)butanoate is sourced from PubChem (CID 91747817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).