Tert-butyl 3-[[tert-butyl(diphenyl)silyl]sulfamoyl]pyrrolidine-1-carboxylate

C₂₅H₃₆N₂O₄SSi — CID 154660373

About Tert-butyl 3-[[tert-butyl(diphenyl)silyl]sulfamoyl]pyrrolidine-1-carboxylate

Tert-butyl 3-[[tert-butyl(diphenyl)silyl]sulfamoyl]pyrrolidine-1-carboxylate (PubChem CID 154660373) has the molecular formula C₂₅H₃₆N₂O₄SSi and a molecular weight of 488.73 g/mol. Its IUPAC name is tert-butyl 3-[[tert-butyl(diphenyl)silyl]sulfamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: Tert-butyl 3-[[tert-butyl(diphenyl)silyl]sulfamoyl]pyrrolidine-1-carboxylate
• PubChem CID: 154660373
• Molecular Formula: C₂₅H₃₆N₂O₄SSi
• Molecular Weight: 488.73 g/mol
• Exact Mass: 488.22
• IUPAC Name: tert-butyl 3-[[tert-butyl(diphenyl)silyl]sulfamoyl]pyrrolidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCC(S(=O)(=O)N[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
• InChI: InChI=1S/C25H36N2O4SSi/c1-24(2,3)31-23(28)27-18-17-20(19-27)32(29,30)26-33(25(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,26H,17-19H2,1-6H3
• InChIKey: IGESESOCWWHAKJ-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.73
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Tert-butyl 3-[[tert-butyl(diphenyl)silyl]sulfamoyl]pyrrolidine-1-carboxylate?

The IUPAC name of Tert-butyl 3-[[tert-butyl(diphenyl)silyl]sulfamoyl]pyrrolidine-1-carboxylate (CID 154660373) is tert-butyl 3-[[tert-butyl(diphenyl)silyl]sulfamoyl]pyrrolidine-1-carboxylate.

What is the SMILES notation for Tert-butyl 3-[[tert-butyl(diphenyl)silyl]sulfamoyl]pyrrolidine-1-carboxylate?

The canonical SMILES for Tert-butyl 3-[[tert-butyl(diphenyl)silyl]sulfamoyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(S(=O)(=O)N[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.

What is the InChIKey of Tert-butyl 3-[[tert-butyl(diphenyl)silyl]sulfamoyl]pyrrolidine-1-carboxylate?

The InChIKey is IGESESOCWWHAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O4SSi/c1-24(2,3)31-23(28)27-18-17-20(19-27)32(29,30)26-33(25(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,26H,17-19H2,1-6H3.

What are the key properties of Tert-butyl 3-[[tert-butyl(diphenyl)silyl]sulfamoyl]pyrrolidine-1-carboxylate?

Tert-butyl 3-[[tert-butyl(diphenyl)silyl]sulfamoyl]pyrrolidine-1-carboxylate has a molecular weight of 488.73 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl 3-[[tert-butyl(diphenyl)silyl]sulfamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 154660373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154660373 — identifiers, structure, computed properties (public domain)

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