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

C17H39NO4SSi2 — CID 553587

IUPAC[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-4-methylsulfonylbutanoate
SMILESCC(C)(C)[Si](C)(C)NC(CCS(C)(=O)=O)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H39NO4SSi2/c1-16(2,3)24(8,9)18-14(12-13-23(7,20)21)15(19)22-25(10,11)17(4,5)6/h14,18H,12-13H2,1-11H3
InChIKeyHAQQPCKTBFLPMV-UHFFFAOYSA-N
MW409.74 g/mol
LogP3.93
Rot. Bonds7

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

[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-4-methylsulfonylbutanoate (PubChem CID 553587) has the molecular formula C17H39NO4SSi2 and a molecular weight of 409.74 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-4-methylsulfonylbutanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-4-methylsulfonylbutanoate
PubChem CID553587
Molecular FormulaC17H39NO4SSi2
Molecular Weight409.74 g/mol
Exact Mass409.21
IUPAC Name[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-4-methylsulfonylbutanoate
SMILESCC(C)(C)[Si](C)(C)NC(CCS(C)(=O)=O)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H39NO4SSi2/c1-16(2,3)24(8,9)18-14(12-13-23(7,20)21)15(19)22-25(10,11)17(4,5)6/h14,18H,12-13H2,1-11H3
InChIKeyHAQQPCKTBFLPMV-UHFFFAOYSA-N
XLogP3.93
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.74
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-4-methylsulfonylbutanoate with MolForge

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

Launch Full Analysis

Related Compounds

[tert-butyl(dimethyl)silyl] 2,5-bis[[tert-butyl(dimethyl)silyl]amino]-5-oxopentanoate
CID 553965
[tert-butyl(dimethyl)silyl] (2S,5E)-2-[[tert-butyl(dimethyl)silyl](15N)amino]-5-[tert-butyl(dimethyl)silyl]imino-5-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 11828147
[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-3-methoxypropanoate
CID 91696881
[tert-butyl(dimethyl)silyl] 5-[bis[[tert-butyl(dimethyl)silyl]amino]methylideneamino]-2-[[tert-butyl(dimethyl)silyl]amino]pentanoate
CID 529516
[tert-butyl(dimethyl)silyl] (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]amino]-4-oxobutanoate
CID 22212014
[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-3-(3-methylimidazol-4-yl)propanoate
CID 552682
tert-butyl N-[(2S)-1-amino-4-methylsulfonyl-1-oxobutan-2-yl]carbamate
CID 59111391
[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]-[2-[[tert-butyl(dimethyl)silyl]amino]-4-methylpentanoyl]amino]acetate
CID 91732826
ethyl (2R)-2-acetamido-4-methylsulfonylbutanoate
CID 124671880
chloromethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfonylbutanoate
CID 165439209
4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate
CID 87697847
[tert-butyl(dimethyl)silyl] 2-(ethoxycarbonylamino)propanoate
CID 91752616

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-4-methylsulfonylbutanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-4-methylsulfonylbutanoate (CID 553587) is [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-4-methylsulfonylbutanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-4-methylsulfonylbutanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-4-methylsulfonylbutanoate is CC(C)(C)[Si](C)(C)NC(CCS(C)(=O)=O)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-4-methylsulfonylbutanoate?
The InChIKey is HAQQPCKTBFLPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39NO4SSi2/c1-16(2,3)24(8,9)18-14(12-13-23(7,20)21)15(19)22-25(10,11)17(4,5)6/h14,18H,12-13H2,1-11H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-4-methylsulfonylbutanoate?
[tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-4-methylsulfonylbutanoate has a molecular weight of 409.74 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-[[tert-butyl(dimethyl)silyl]amino]-4-methylsulfonylbutanoate is sourced from PubChem (CID 553587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).