Benzyl 4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]sulfamoyl]piperidine-1-carboxylate

C₂₄H₃₅N₃O₅SSi — CID 155632593

About Benzyl 4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]sulfamoyl]piperidine-1-carboxylate

Benzyl 4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]sulfamoyl]piperidine-1-carboxylate (PubChem CID 155632593) has the molecular formula C₂₄H₃₅N₃O₅SSi and a molecular weight of 505.71 g/mol. Its IUPAC name is benzyl 4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]sulfamoyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: Benzyl 4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]sulfamoyl]piperidine-1-carboxylate
• PubChem CID: 155632593
• Molecular Formula: C₂₄H₃₅N₃O₅SSi
• Molecular Weight: 505.71 g/mol
• Exact Mass: 505.21
• IUPAC Name: benzyl 4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]sulfamoyl]piperidine-1-carboxylate
• SMILES: CC(C)(C)[Si](C)(C)Oc1ccc(NS(=O)(=O)C2CCN(C(=O)OCc3ccccc3)CC2)nc1
• InChI: InChI=1S/C24H35N3O5SSi/c1-24(2,3)34(4,5)32-20-11-12-22(25-17-20)26-33(29,30)21-13-15-27(16-14-21)23(28)31-18-19-9-7-6-8-10-19/h6-12,17,21H,13-16,18H2,1-5H3,(H,25,26)
• InChIKey: IFKLVEJZLQXMFL-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 97.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.71
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Benzyl 4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]sulfamoyl]piperidine-1-carboxylate?

The IUPAC name of Benzyl 4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]sulfamoyl]piperidine-1-carboxylate (CID 155632593) is benzyl 4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]sulfamoyl]piperidine-1-carboxylate.

What is the SMILES notation for Benzyl 4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]sulfamoyl]piperidine-1-carboxylate?

The canonical SMILES for Benzyl 4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]sulfamoyl]piperidine-1-carboxylate is CC(C)(C)[Si](C)(C)Oc1ccc(NS(=O)(=O)C2CCN(C(=O)OCc3ccccc3)CC2)nc1.

What is the InChIKey of Benzyl 4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]sulfamoyl]piperidine-1-carboxylate?

The InChIKey is IFKLVEJZLQXMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O5SSi/c1-24(2,3)34(4,5)32-20-11-12-22(25-17-20)26-33(29,30)21-13-15-27(16-14-21)23(28)31-18-19-9-7-6-8-10-19/h6-12,17,21H,13-16,18H2,1-5H3,(H,25,26).

What are the key properties of Benzyl 4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]sulfamoyl]piperidine-1-carboxylate?

Benzyl 4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]sulfamoyl]piperidine-1-carboxylate has a molecular weight of 505.71 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Benzyl 4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]sulfamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 155632593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155632593 — identifiers, structure, computed properties (public domain)

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