(NZ,R)-N-[1-(2-fluorophenyl)-3-tri(propan-2-yl)silylprop-2-ynylidene]-2-methylpropane-2-sulfinamide

C22H34FNOSSi — CID 140688437

About (NZ,R)-N-[1-(2-fluorophenyl)-3-tri(propan-2-yl)silylprop-2-ynylidene]-2-methylpropane-2-sulfinamide

(NZ,R)-N-[1-(2-fluorophenyl)-3-tri(propan-2-yl)silylprop-2-ynylidene]-2-methylpropane-2-sulfinamide (PubChem CID 140688437) has the molecular formula C22H34FNOSSi and a molecular weight of 407.67 g/mol. Its IUPAC name is (NZ,R)-N-[1-(2-fluorophenyl)-3-tri(propan-2-yl)silylprop-2-ynylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: (NZ,R)-N-[1-(2-fluorophenyl)-3-tri(propan-2-yl)silylprop-2-ynylidene]-2-methylpropane-2-sulfinamide
• PubChem CID: 140688437
• Molecular Formula: C22H34FNOSSi
• Molecular Weight: 407.67 g/mol
• Exact Mass: 407.21
• IUPAC Name: (NZ,R)-N-[1-(2-fluorophenyl)-3-tri(propan-2-yl)silylprop-2-ynylidene]-2-methylpropane-2-sulfinamide
• SMILES: CC(C)[Si](C#C/C(=N\[S@](=O)C(C)(C)C)c1ccccc1F)(C(C)C)C(C)C
• InChI: InChI=1S/C22H34FNOSSi/c1-16(2)27(17(3)4,18(5)6)15-14-21(24-26(25)22(7,8)9)19-12-10-11-13-20(19)23/h10-13,16-18H,1-9H3/b24-21+/t26-/m1/s1
• InChIKey: TYCCNXDIGIYJJM-YBYIGWBCSA-N
• XLogP: 6.30
• TPSA: 29.43 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.67
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (NZ,R)-N-[1-(2-fluorophenyl)-3-tri(propan-2-yl)silylprop-2-ynylidene]-2-methylpropane-2-sulfinamide?

The IUPAC name of (NZ,R)-N-[1-(2-fluorophenyl)-3-tri(propan-2-yl)silylprop-2-ynylidene]-2-methylpropane-2-sulfinamide (CID 140688437) is (NZ,R)-N-[1-(2-fluorophenyl)-3-tri(propan-2-yl)silylprop-2-ynylidene]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for (NZ,R)-N-[1-(2-fluorophenyl)-3-tri(propan-2-yl)silylprop-2-ynylidene]-2-methylpropane-2-sulfinamide?

The canonical SMILES for (NZ,R)-N-[1-(2-fluorophenyl)-3-tri(propan-2-yl)silylprop-2-ynylidene]-2-methylpropane-2-sulfinamide is CC(C)[Si](C#C/C(=N\[S@](=O)C(C)(C)C)c1ccccc1F)(C(C)C)C(C)C.

What is the InChIKey of (NZ,R)-N-[1-(2-fluorophenyl)-3-tri(propan-2-yl)silylprop-2-ynylidene]-2-methylpropane-2-sulfinamide?

The InChIKey is TYCCNXDIGIYJJM-YBYIGWBCSA-N. The full InChI is InChI=1S/C22H34FNOSSi/c1-16(2)27(17(3)4,18(5)6)15-14-21(24-26(25)22(7,8)9)19-12-10-11-13-20(19)23/h10-13,16-18H,1-9H3/b24-21+/t26-/m1/s1.

What are the key properties of (NZ,R)-N-[1-(2-fluorophenyl)-3-tri(propan-2-yl)silylprop-2-ynylidene]-2-methylpropane-2-sulfinamide?

(NZ,R)-N-[1-(2-fluorophenyl)-3-tri(propan-2-yl)silylprop-2-ynylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 407.67 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (NZ,R)-N-[1-(2-fluorophenyl)-3-tri(propan-2-yl)silylprop-2-ynylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 140688437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).