N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-1,1,1-trifluoromethanesulfonamide

C15H24F3NO3SSi — CID 166446319

IUPACN-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-1,1,1-trifluoromethanesulfonamide
SMILESCC(C)(C)[Si](C)(C)OC[C@H](NS(=O)(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H24F3NO3SSi/c1-14(2,3)24(4,5)22-11-13(12-9-7-6-8-10-12)19-23(20,21)15(16,17)18/h6-10,13,19H,11H2,1-5H3/t13-/m0/s1
InChIKeyWGGRIUJDKPLZNX-ZDUSSCGKSA-N
MW383.51 g/mol
LogP4.19
Rot. Bonds6

About N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-1,1,1-trifluoromethanesulfonamide

N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 166446319) has the molecular formula C15H24F3NO3SSi and a molecular weight of 383.51 g/mol. Its IUPAC name is N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID166446319
Molecular FormulaC15H24F3NO3SSi
Molecular Weight383.51 g/mol
Exact Mass383.12
IUPAC NameN-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-1,1,1-trifluoromethanesulfonamide
SMILESCC(C)(C)[Si](C)(C)OC[C@H](NS(=O)(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H24F3NO3SSi/c1-14(2,3)24(4,5)22-11-13(12-9-7-6-8-10-12)19-23(20,21)15(16,17)18/h6-10,13,19H,11H2,1-5H3/t13-/m0/s1
InChIKeyWGGRIUJDKPLZNX-ZDUSSCGKSA-N
XLogP4.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 54.19
H-Bond Donors ≤ 51
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
N-(2-hydroxy-1-phenylethyl)methanesulfonamide
CID 63183387
(R)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 135005358
(R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 135005490
(R)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 135005491
(R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 135005492
(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-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-1,1,1-trifluoromethanesulfonamide
CID 135074447
N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 138980759
N-[2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]-1,1,1-trifluoromethanesulfonamide
CID 162400469

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-1,1,1-trifluoromethanesulfonamide (CID 166446319) is N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-1,1,1-trifluoromethanesulfonamide is CC(C)(C)[Si](C)(C)OC[C@H](NS(=O)(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is WGGRIUJDKPLZNX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24F3NO3SSi/c1-14(2,3)24(4,5)22-11-13(12-9-7-6-8-10-12)19-23(20,21)15(16,17)18/h6-10,13,19H,11H2,1-5H3/t13-/m0/s1.
What are the key properties of N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-1,1,1-trifluoromethanesulfonamide?
N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 383.51 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 166446319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).