(R)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide

C19H32F3NO2SSi — CID 135005358

About (R)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 135005358) 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-[3-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: (R)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
• PubChem CID: 135005358
• Molecular Formula: C19H32F3NO2SSi
• Molecular Weight: 423.62 g/mol
• Exact Mass: 423.19
• IUPAC Name: (R)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
• SMILES: CC(C)(C)[S@@](=O)N[C@H](CO[Si](C)(C)C(C)(C)C)c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C19H32F3NO2SSi/c1-17(2,3)26(24)23-16(13-25-27(7,8)18(4,5)6)14-10-9-11-15(12-14)19(20,21)22/h9-12,16,23H,13H2,1-8H3/t16-,26-/m1/s1
• InChIKey: BGHZFSIIVAOSGS-AKJBCIBTSA-N
• XLogP: 5.82
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.62
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide?

The IUPAC name of (R)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide (CID 135005358) is (R)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for (R)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide?

The canonical SMILES for (R)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@H](CO[Si](C)(C)C(C)(C)C)c1cccc(C(F)(F)F)c1.

What is the InChIKey of (R)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide?

The InChIKey is BGHZFSIIVAOSGS-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)14-10-9-11-15(12-14)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-[3-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide?

(R)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(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-[3-(trifluoromethyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 135005358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).