(R)-N-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-(4-chloro-3,5-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide

C23H31ClF2N2O2SSi — CID 87186377

About (R)-N-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-(4-chloro-3,5-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide

(R)-N-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-(4-chloro-3,5-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 87186377) has the molecular formula C23H31ClF2N2O2SSi and a molecular weight of 501.12 g/mol. Its IUPAC name is (R)-N-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-(4-chloro-3,5-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: (R)-N-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-(4-chloro-3,5-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
• PubChem CID: 87186377
• Molecular Formula: C23H31ClF2N2O2SSi
• Molecular Weight: 501.12 g/mol
• Exact Mass: 500.15
• IUPAC Name: (R)-N-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-(4-chloro-3,5-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
• SMILES: CC(C)(C)[S@@](=O)N=C(c1cc(F)c(Cl)c(F)c1)c1ccc(CO[Si](C)(C)C(C)(C)C)cn1
• InChI: InChI=1S/C23H31ClF2N2O2SSi/c1-22(2,3)31(29)28-21(16-11-17(25)20(24)18(26)12-16)19-10-9-15(13-27-19)14-30-32(7,8)23(4,5)6/h9-13H,14H2,1-8H3/t31-/m1/s1
• InChIKey: GDGFWSYGJISYPD-WJOKGBTCSA-N
• XLogP: 6.83
• TPSA: 51.55 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.12
LogP ≤ 5	6.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (R)-N-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-(4-chloro-3,5-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide?

The IUPAC name of (R)-N-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-(4-chloro-3,5-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide (CID 87186377) is (R)-N-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-(4-chloro-3,5-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for (R)-N-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-(4-chloro-3,5-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide?

The canonical SMILES for (R)-N-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-(4-chloro-3,5-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N=C(c1cc(F)c(Cl)c(F)c1)c1ccc(CO[Si](C)(C)C(C)(C)C)cn1.

What is the InChIKey of (R)-N-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-(4-chloro-3,5-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide?

The InChIKey is GDGFWSYGJISYPD-WJOKGBTCSA-N. The full InChI is InChI=1S/C23H31ClF2N2O2SSi/c1-22(2,3)31(29)28-21(16-11-17(25)20(24)18(26)12-16)19-10-9-15(13-27-19)14-30-32(7,8)23(4,5)6/h9-13H,14H2,1-8H3/t31-/m1/s1.

What are the key properties of (R)-N-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-(4-chloro-3,5-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide?

(R)-N-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-(4-chloro-3,5-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 501.12 g/mol, XLogP of 6.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-N-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-(4-chloro-3,5-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 87186377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).