trimethylsilyl 3-[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanyl-2-(trimethylsilylamino)propanoate

C18H44N2O4SSi4 — CID 553496

IUPACtrimethylsilyl 3-[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanyl-2-(trimethylsilylamino)propanoate
SMILESC[Si](C)(C)NC(CSCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C18H44N2O4SSi4/c1-26(2,3)19-15(17(21)23-28(7,8)9)13-25-14-16(20-27(4,5)6)18(22)24-29(10,11)12/h15-16,19-20H,13-14H2,1-12H3
InChIKeyKRWSOFPDSKBHRX-UHFFFAOYSA-N
MW496.97 g/mol
LogP4.06
Rot. Bonds12

About trimethylsilyl 3-[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanyl-2-(trimethylsilylamino)propanoate

trimethylsilyl 3-[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanyl-2-(trimethylsilylamino)propanoate (PubChem CID 553496) has the molecular formula C18H44N2O4SSi4 and a molecular weight of 496.97 g/mol. Its IUPAC name is trimethylsilyl 3-[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanyl-2-(trimethylsilylamino)propanoate.

Molecular Properties

Compound Nametrimethylsilyl 3-[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanyl-2-(trimethylsilylamino)propanoate
PubChem CID553496
Molecular FormulaC18H44N2O4SSi4
Molecular Weight496.97 g/mol
Exact Mass496.21
IUPAC Nametrimethylsilyl 3-[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanyl-2-(trimethylsilylamino)propanoate
SMILESC[Si](C)(C)NC(CSCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C18H44N2O4SSi4/c1-26(2,3)19-15(17(21)23-28(7,8)9)13-25-14-16(20-27(4,5)6)18(22)24-29(10,11)12/h15-16,19-20H,13-14H2,1-12H3
InChIKeyKRWSOFPDSKBHRX-UHFFFAOYSA-N
XLogP4.06
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.97
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze trimethylsilyl 3-[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanyl-2-(trimethylsilylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 3-[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanyl-2-(trimethylsilylamino)propanoate?
The IUPAC name of trimethylsilyl 3-[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanyl-2-(trimethylsilylamino)propanoate (CID 553496) is trimethylsilyl 3-[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanyl-2-(trimethylsilylamino)propanoate.
What is the SMILES notation for trimethylsilyl 3-[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanyl-2-(trimethylsilylamino)propanoate?
The canonical SMILES for trimethylsilyl 3-[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanyl-2-(trimethylsilylamino)propanoate is C[Si](C)(C)NC(CSCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 3-[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanyl-2-(trimethylsilylamino)propanoate?
The InChIKey is KRWSOFPDSKBHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H44N2O4SSi4/c1-26(2,3)19-15(17(21)23-28(7,8)9)13-25-14-16(20-27(4,5)6)18(22)24-29(10,11)12/h15-16,19-20H,13-14H2,1-12H3.
What are the key properties of trimethylsilyl 3-[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanyl-2-(trimethylsilylamino)propanoate?
trimethylsilyl 3-[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanyl-2-(trimethylsilylamino)propanoate has a molecular weight of 496.97 g/mol, XLogP of 4.06, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3-[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanyl-2-(trimethylsilylamino)propanoate is sourced from PubChem (CID 553496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).