(R)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide

C19H32F3NO2SSi — CID 135005491

IUPAC(R)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@H](CO[Si](C)(C)C(C)(C)C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H32F3NO2SSi/c1-17(2,3)26(24)23-16(13-25-27(7,8)18(4,5)6)14-9-11-15(12-10-14)19(20,21)22/h9-12,16,23H,13H2,1-8H3/t16-,26-/m1/s1
InChIKeyLJHJPFGMYYHVRB-AKJBCIBTSA-N
MW423.62 g/mol
LogP5.82
Rot. Bonds6

About (R)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 135005491) has the molecular formula C19H32F3NO2SSi and a molecular weight of 423.62 g/mol. Its IUPAC name is (R)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID135005491
Molecular FormulaC19H32F3NO2SSi
Molecular Weight423.62 g/mol
Exact Mass423.19
IUPAC Name(R)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@H](CO[Si](C)(C)C(C)(C)C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H32F3NO2SSi/c1-17(2,3)26(24)23-16(13-25-27(7,8)18(4,5)6)14-9-11-15(12-10-14)19(20,21)22/h9-12,16,23H,13H2,1-8H3/t16-,26-/m1/s1
InChIKeyLJHJPFGMYYHVRB-AKJBCIBTSA-N
XLogP5.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.62
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (R)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide (CID 135005491) is (R)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@H](CO[Si](C)(C)C(C)(C)C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (R)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is LJHJPFGMYYHVRB-AKJBCIBTSA-N. The full InChI is InChI=1S/C19H32F3NO2SSi/c1-17(2,3)26(24)23-16(13-25-27(7,8)18(4,5)6)14-9-11-15(12-10-14)19(20,21)22/h9-12,16,23H,13H2,1-8H3/t16-,26-/m1/s1.
What are the key properties of (R)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 423.62 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 135005491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).