[tert-butyl(dimethyl)silyl] (2S)-2-[[tert-butyl(dimethyl)silyl]amino]-4-methylsulfanylbutanoate

C17H39NO2SSi2 — CID 22212017

IUPAC[tert-butyl(dimethyl)silyl] (2S)-2-[[tert-butyl(dimethyl)silyl]amino]-4-methylsulfanylbutanoate
SMILESCSCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H39NO2SSi2/c1-16(2,3)22(8,9)18-14(12-13-21-7)15(19)20-23(10,11)17(4,5)6/h14,18H,12-13H2,1-11H3/t14-/m0/s1
InChIKeyGFTNLYSBKQIIQN-AWEZNQCLSA-N
MW377.74 g/mol
LogP5.25
Rot. Bonds7

About [tert-butyl(dimethyl)silyl] (2S)-2-[[tert-butyl(dimethyl)silyl]amino]-4-methylsulfanylbutanoate

[tert-butyl(dimethyl)silyl] (2S)-2-[[tert-butyl(dimethyl)silyl]amino]-4-methylsulfanylbutanoate (PubChem CID 22212017) has the molecular formula C17H39NO2SSi2 and a molecular weight of 377.74 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] (2S)-2-[[tert-butyl(dimethyl)silyl]amino]-4-methylsulfanylbutanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] (2S)-2-[[tert-butyl(dimethyl)silyl]amino]-4-methylsulfanylbutanoate
PubChem CID22212017
Molecular FormulaC17H39NO2SSi2
Molecular Weight377.74 g/mol
Exact Mass377.22
IUPAC Name[tert-butyl(dimethyl)silyl] (2S)-2-[[tert-butyl(dimethyl)silyl]amino]-4-methylsulfanylbutanoate
SMILESCSCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H39NO2SSi2/c1-16(2,3)22(8,9)18-14(12-13-21-7)15(19)20-23(10,11)17(4,5)6/h14,18H,12-13H2,1-11H3/t14-/m0/s1
InChIKeyGFTNLYSBKQIIQN-AWEZNQCLSA-N
XLogP5.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.74
LogP ≤ 55.25
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 [tert-butyl(dimethyl)silyl] (2S)-2-[[tert-butyl(dimethyl)silyl]amino]-4-methylsulfanylbutanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] (2S)-2-[[tert-butyl(dimethyl)silyl]amino]-4-methylsulfanylbutanoate (CID 22212017) is [tert-butyl(dimethyl)silyl] (2S)-2-[[tert-butyl(dimethyl)silyl]amino]-4-methylsulfanylbutanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] (2S)-2-[[tert-butyl(dimethyl)silyl]amino]-4-methylsulfanylbutanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] (2S)-2-[[tert-butyl(dimethyl)silyl]amino]-4-methylsulfanylbutanoate is CSCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] (2S)-2-[[tert-butyl(dimethyl)silyl]amino]-4-methylsulfanylbutanoate?
The InChIKey is GFTNLYSBKQIIQN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H39NO2SSi2/c1-16(2,3)22(8,9)18-14(12-13-21-7)15(19)20-23(10,11)17(4,5)6/h14,18H,12-13H2,1-11H3/t14-/m0/s1.
What are the key properties of [tert-butyl(dimethyl)silyl] (2S)-2-[[tert-butyl(dimethyl)silyl]amino]-4-methylsulfanylbutanoate?
[tert-butyl(dimethyl)silyl] (2S)-2-[[tert-butyl(dimethyl)silyl]amino]-4-methylsulfanylbutanoate has a molecular weight of 377.74 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] (2S)-2-[[tert-butyl(dimethyl)silyl]amino]-4-methylsulfanylbutanoate is sourced from PubChem (CID 22212017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).