trimethylsilyl 4-[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanyl-2-(trimethylsilylamino)butanoate

C19H46N2O4SSi4 — CID 530161

IUPACtrimethylsilyl 4-[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanyl-2-(trimethylsilylamino)butanoate
SMILESC[Si](C)(C)NC(CCSCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C19H46N2O4SSi4/c1-27(2,3)20-16(18(22)24-29(7,8)9)13-14-26-15-17(21-28(4,5)6)19(23)25-30(10,11)12/h16-17,20-21H,13-15H2,1-12H3
InChIKeyUCHYCIWAEYBTEB-UHFFFAOYSA-N
MW511.00 g/mol
LogP4.45
Rot. Bonds13

About trimethylsilyl 4-[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanyl-2-(trimethylsilylamino)butanoate

trimethylsilyl 4-[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanyl-2-(trimethylsilylamino)butanoate (PubChem CID 530161) has the molecular formula C19H46N2O4SSi4 and a molecular weight of 511.00 g/mol. Its IUPAC name is trimethylsilyl 4-[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanyl-2-(trimethylsilylamino)butanoate.

Molecular Properties

Compound Nametrimethylsilyl 4-[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanyl-2-(trimethylsilylamino)butanoate
PubChem CID530161
Molecular FormulaC19H46N2O4SSi4
Molecular Weight511.00 g/mol
Exact Mass510.23
IUPAC Nametrimethylsilyl 4-[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanyl-2-(trimethylsilylamino)butanoate
SMILESC[Si](C)(C)NC(CCSCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C19H46N2O4SSi4/c1-27(2,3)20-16(18(22)24-29(7,8)9)13-14-26-15-17(21-28(4,5)6)19(23)25-30(10,11)12/h16-17,20-21H,13-15H2,1-12H3
InChIKeyUCHYCIWAEYBTEB-UHFFFAOYSA-N
XLogP4.45
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.00
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze trimethylsilyl 4-[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanyl-2-(trimethylsilylamino)butanoate with MolForge

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Related Compounds

L-Methionine, trimethylsilyl ester
CID 6430529
L-Methionine, N-(trimethylsilyl)-, trimethylsilyl ester
CID 12451978
N,N'o,o'-Tetra-(trimethylsilyl)cystine
CID 530163
L-Homocystine, N,N'-bis(trimethylsilyl)-, bis(trimethylsilyl) ester
CID 552899
Lanthionine, tetra-TMS
CID 553496
Homocysteine, N,O,S-tris9trimethylsilyl)-
CID 553561
N,O-Bis(dimethyl-t-butylsilyl)-l-methionine
CID 22212017
L-Cystathionine, N,N'-bis(tert-butyldimethylsilyl)-, bis(tert-butyldimethylsilyl) ester
CID 91696927
Butanoic acid, 4-(ethylthio)-2-[(trimethylsilyl)amino]-, trimethylsilyl ester
CID 605289
trimethylsilyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 131880293
Djenkolic acid, TMS
CID 530167
d3-Methionine, di-TMS
CID 91747817

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 4-[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanyl-2-(trimethylsilylamino)butanoate?
The IUPAC name of trimethylsilyl 4-[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanyl-2-(trimethylsilylamino)butanoate (CID 530161) is trimethylsilyl 4-[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanyl-2-(trimethylsilylamino)butanoate.
What is the SMILES notation for trimethylsilyl 4-[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanyl-2-(trimethylsilylamino)butanoate?
The canonical SMILES for trimethylsilyl 4-[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanyl-2-(trimethylsilylamino)butanoate is C[Si](C)(C)NC(CCSCC(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 4-[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanyl-2-(trimethylsilylamino)butanoate?
The InChIKey is UCHYCIWAEYBTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H46N2O4SSi4/c1-27(2,3)20-16(18(22)24-29(7,8)9)13-14-26-15-17(21-28(4,5)6)19(23)25-30(10,11)12/h16-17,20-21H,13-15H2,1-12H3.
What are the key properties of trimethylsilyl 4-[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanyl-2-(trimethylsilylamino)butanoate?
trimethylsilyl 4-[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanyl-2-(trimethylsilylamino)butanoate has a molecular weight of 511.00 g/mol, XLogP of 4.45, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 4-[3-oxo-2-(trimethylsilylamino)-3-trimethylsilyloxypropyl]sulfanyl-2-(trimethylsilylamino)butanoate is sourced from PubChem (CID 530161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).