[tert-butyl(dimethyl)silyl] 2-[2-[tert-butyl(dimethyl)silyl]sulfanylpropanoylamino]acetate

C17H37NO3SSi2 — CID 91743024

IUPAC[tert-butyl(dimethyl)silyl] 2-[2-[tert-butyl(dimethyl)silyl]sulfanylpropanoylamino]acetate
SMILESCC(S[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H37NO3SSi2/c1-13(22-24(10,11)17(5,6)7)15(20)18-12-14(19)21-23(8,9)16(2,3)4/h13H,12H2,1-11H3,(H,18,20)
InChIKeyCRLXDXPOPUOBLG-UHFFFAOYSA-N
MW391.73 g/mol
LogP4.78
Rot. Bonds6

About [tert-butyl(dimethyl)silyl] 2-[2-[tert-butyl(dimethyl)silyl]sulfanylpropanoylamino]acetate

[tert-butyl(dimethyl)silyl] 2-[2-[tert-butyl(dimethyl)silyl]sulfanylpropanoylamino]acetate (PubChem CID 91743024) has the molecular formula C17H37NO3SSi2 and a molecular weight of 391.73 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-[2-[tert-butyl(dimethyl)silyl]sulfanylpropanoylamino]acetate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-[2-[tert-butyl(dimethyl)silyl]sulfanylpropanoylamino]acetate
PubChem CID91743024
Molecular FormulaC17H37NO3SSi2
Molecular Weight391.73 g/mol
Exact Mass391.20
IUPAC Name[tert-butyl(dimethyl)silyl] 2-[2-[tert-butyl(dimethyl)silyl]sulfanylpropanoylamino]acetate
SMILESCC(S[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H37NO3SSi2/c1-13(22-24(10,11)17(5,6)7)15(20)18-12-14(19)21-23(8,9)16(2,3)4/h13H,12H2,1-11H3,(H,18,20)
InChIKeyCRLXDXPOPUOBLG-UHFFFAOYSA-N
XLogP4.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.73
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)acetate
CID 529362
[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]sulfanylpropanoate
CID 91719359
4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate
CID 87697847
[tert-butyl(dimethyl)silyl] 2-chloroacetate
CID 4279826
bis[tert-butyl(dimethyl)silyl] hexanedioate
CID 528567
[tert-butyl(dimethyl)silyl] 2-anilinoacetate
CID 69047191
[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]phosphonic acid
CID 58473369
[tert-butyl(dimethyl)silyl] 3-acetylsulfanylpropanoate
CID 91713351
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11817464
[tert-butyl(dimethyl)silyl] propan-2-yl carbonate
CID 155712738
S-methyl N-[[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoyl]amino]carbamothioate
CID 88910598
tert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]acetate
CID 87652886

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-[2-[tert-butyl(dimethyl)silyl]sulfanylpropanoylamino]acetate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-[2-[tert-butyl(dimethyl)silyl]sulfanylpropanoylamino]acetate (CID 91743024) is [tert-butyl(dimethyl)silyl] 2-[2-[tert-butyl(dimethyl)silyl]sulfanylpropanoylamino]acetate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-[2-[tert-butyl(dimethyl)silyl]sulfanylpropanoylamino]acetate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-[2-[tert-butyl(dimethyl)silyl]sulfanylpropanoylamino]acetate is CC(S[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-[2-[tert-butyl(dimethyl)silyl]sulfanylpropanoylamino]acetate?
The InChIKey is CRLXDXPOPUOBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO3SSi2/c1-13(22-24(10,11)17(5,6)7)15(20)18-12-14(19)21-23(8,9)16(2,3)4/h13H,12H2,1-11H3,(H,18,20).
What are the key properties of [tert-butyl(dimethyl)silyl] 2-[2-[tert-butyl(dimethyl)silyl]sulfanylpropanoylamino]acetate?
[tert-butyl(dimethyl)silyl] 2-[2-[tert-butyl(dimethyl)silyl]sulfanylpropanoylamino]acetate has a molecular weight of 391.73 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-[2-[tert-butyl(dimethyl)silyl]sulfanylpropanoylamino]acetate is sourced from PubChem (CID 91743024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).