tert-butyl-[[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxy-1-pyridin-2-ylpropan-2-yl]amino]-oxidosulfanium

C25H40N2O3SSi — CID 175131199

About tert-butyl-[[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxy-1-pyridin-2-ylpropan-2-yl]amino]-oxidosulfanium

tert-butyl-[[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxy-1-pyridin-2-ylpropan-2-yl]amino]-oxidosulfanium (PubChem CID 175131199) has the molecular formula C25H40N2O3SSi and a molecular weight of 476.76 g/mol. Its IUPAC name is tert-butyl-[[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxy-1-pyridin-2-ylpropan-2-yl]amino]-oxidosulfanium.

Molecular Properties

• Compound Name: tert-butyl-[[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxy-1-pyridin-2-ylpropan-2-yl]amino]-oxidosulfanium
• PubChem CID: 175131199
• Molecular Formula: C25H40N2O3SSi
• Molecular Weight: 476.76 g/mol
• Exact Mass: 476.25
• IUPAC Name: tert-butyl-[[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxy-1-pyridin-2-ylpropan-2-yl]amino]-oxidosulfanium
• SMILES: CC(C)(C)[S+]([O-])NC(COCc1ccccc1)C(O[Si](C)(C)C(C)(C)C)c1ccccn1
• InChI: InChI=1S/C25H40N2O3SSi/c1-24(2,3)31(28)27-22(19-29-18-20-14-10-9-11-15-20)23(21-16-12-13-17-26-21)30-32(7,8)25(4,5)6/h9-17,22-23,27H,18-19H2,1-8H3
• InChIKey: UHFHQZATDYFDSJ-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 66.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.76
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxy-1-pyridin-2-ylpropan-2-yl]amino]-oxidosulfanium?

The IUPAC name of tert-butyl-[[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxy-1-pyridin-2-ylpropan-2-yl]amino]-oxidosulfanium (CID 175131199) is tert-butyl-[[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxy-1-pyridin-2-ylpropan-2-yl]amino]-oxidosulfanium.

What is the SMILES notation for tert-butyl-[[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxy-1-pyridin-2-ylpropan-2-yl]amino]-oxidosulfanium?

The canonical SMILES for tert-butyl-[[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxy-1-pyridin-2-ylpropan-2-yl]amino]-oxidosulfanium is CC(C)(C)[S+]([O-])NC(COCc1ccccc1)C(O[Si](C)(C)C(C)(C)C)c1ccccn1.

What is the InChIKey of tert-butyl-[[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxy-1-pyridin-2-ylpropan-2-yl]amino]-oxidosulfanium?

The InChIKey is UHFHQZATDYFDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N2O3SSi/c1-24(2,3)31(28)27-22(19-29-18-20-14-10-9-11-15-20)23(21-16-12-13-17-26-21)30-32(7,8)25(4,5)6/h9-17,22-23,27H,18-19H2,1-8H3.

What are the key properties of tert-butyl-[[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxy-1-pyridin-2-ylpropan-2-yl]amino]-oxidosulfanium?

tert-butyl-[[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxy-1-pyridin-2-ylpropan-2-yl]amino]-oxidosulfanium has a molecular weight of 476.76 g/mol, XLogP of 5.78, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxy-1-pyridin-2-ylpropan-2-yl]amino]-oxidosulfanium is sourced from PubChem (CID 175131199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).