(R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide

C18H32FNO2SSi — CID 135005494

IUPAC(R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)c1ccccc1F
InChIInChI=1S/C18H32FNO2SSi/c1-17(2,3)23(21)20-16(14-11-9-10-12-15(14)19)13-22-24(7,8)18(4,5)6/h9-12,16,20H,13H2,1-8H3/t16-,23+/m0/s1
InChIKeyNYQVYLLCTWYPFZ-QMHKHESXSA-N
MW373.61 g/mol
LogP4.94
Rot. Bonds6

About (R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 135005494) has the molecular formula C18H32FNO2SSi and a molecular weight of 373.61 g/mol. Its IUPAC name is (R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID135005494
Molecular FormulaC18H32FNO2SSi
Molecular Weight373.61 g/mol
Exact Mass373.19
IUPAC Name(R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)c1ccccc1F
InChIInChI=1S/C18H32FNO2SSi/c1-17(2,3)23(21)20-16(14-11-9-10-12-15(14)19)13-22-24(7,8)18(4,5)6/h9-12,16,20H,13H2,1-8H3/t16-,23+/m0/s1
InChIKeyNYQVYLLCTWYPFZ-QMHKHESXSA-N
XLogP4.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.61
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-chloro-4-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 53248344
(R)-N-[(1S,2R)-1-(4-fluorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide
CID 135000448
(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-(3-chloro-4-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 135006989
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 (R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide (CID 135005494) is (R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)c1ccccc1F.
What is the InChIKey of (R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is NYQVYLLCTWYPFZ-QMHKHESXSA-N. The full InChI is InChI=1S/C18H32FNO2SSi/c1-17(2,3)23(21)20-16(14-11-9-10-12-15(14)19)13-22-24(7,8)18(4,5)6/h9-12,16,20H,13H2,1-8H3/t16-,23+/m0/s1.
What are the key properties of (R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 373.61 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 135005494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).