tert-butyl-[(2R)-2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-2-phenylethoxy]-dimethylsilane

C14H23F2NO2SSi — CID 153432727

IUPACtert-butyl-[(2R)-2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-2-phenylethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H](N=S(=O)(F)F)c1ccccc1
InChIInChI=1S/C14H23F2NO2SSi/c1-14(2,3)21(4,5)19-11-13(17-20(15,16)18)12-9-7-6-8-10-12/h6-10,13H,11H2,1-5H3/t13-/m0/s1
InChIKeyXZZVQQBUEYAXAB-ZDUSSCGKSA-N
MW335.49 g/mol
LogP4.99
Rot. Bonds5

About tert-butyl-[(2R)-2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-2-phenylethoxy]-dimethylsilane

tert-butyl-[(2R)-2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-2-phenylethoxy]-dimethylsilane (PubChem CID 153432727) has the molecular formula C14H23F2NO2SSi and a molecular weight of 335.49 g/mol. Its IUPAC name is tert-butyl-[(2R)-2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-2-phenylethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R)-2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-2-phenylethoxy]-dimethylsilane
PubChem CID153432727
Molecular FormulaC14H23F2NO2SSi
Molecular Weight335.49 g/mol
Exact Mass335.12
IUPAC Nametert-butyl-[(2R)-2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-2-phenylethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H](N=S(=O)(F)F)c1ccccc1
InChIInChI=1S/C14H23F2NO2SSi/c1-14(2,3)21(4,5)19-11-13(17-20(15,16)18)12-9-7-6-8-10-12/h6-10,13H,11H2,1-5H3/t13-/m0/s1
InChIKeyXZZVQQBUEYAXAB-ZDUSSCGKSA-N
XLogP4.99
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(r)-2-[(t-Butyldimethylsilyl) oxy]-1-phenyl-ethan-1-amine
CID 11791653
[(2S)-2-amino-2-phenylethoxy](tert-butyl)dimethylsilane
CID 14335550
(R)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 135005493
(R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 135005494
N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-1,1,1-trifluoromethanesulfonamide
CID 166446319
N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methylphenyl)ethyl]-1,1,1-trifluoromethanesulfonamide
CID 166446320
Silane, (2-azido-2-phenylethoxy)trimethyl-
CID 10900605
2-[Tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine
CID 11459395
(1R)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-1-amine
CID 11666148
3-[Tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-1-amine
CID 11694624
2-[Tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)ethanamine
CID 59527969
N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2,4-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 67033077

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-2-phenylethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R)-2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-2-phenylethoxy]-dimethylsilane (CID 153432727) is tert-butyl-[(2R)-2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-2-phenylethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R)-2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-2-phenylethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R)-2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-2-phenylethoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H](N=S(=O)(F)F)c1ccccc1.
What is the InChIKey of tert-butyl-[(2R)-2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-2-phenylethoxy]-dimethylsilane?
The InChIKey is XZZVQQBUEYAXAB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H23F2NO2SSi/c1-14(2,3)21(4,5)19-11-13(17-20(15,16)18)12-9-7-6-8-10-12/h6-10,13H,11H2,1-5H3/t13-/m0/s1.
What are the key properties of tert-butyl-[(2R)-2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-2-phenylethoxy]-dimethylsilane?
tert-butyl-[(2R)-2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-2-phenylethoxy]-dimethylsilane has a molecular weight of 335.49 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-2-phenylethoxy]-dimethylsilane is sourced from PubChem (CID 153432727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).