2-[4-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-2-ol

C22H44N2O3SSi2 — CID 151296024

About 2-[4-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-2-ol

2-[4-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-2-ol (PubChem CID 151296024) has the molecular formula C22H44N2O3SSi2 and a molecular weight of 472.84 g/mol. Its IUPAC name is 2-[4-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[4-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-2-ol
• PubChem CID: 151296024
• Molecular Formula: C22H44N2O3SSi2
• Molecular Weight: 472.84 g/mol
• Exact Mass: 472.26
• IUPAC Name: 2-[4-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-2-ol
• SMILES: CC(C)(O)c1ccc(S(N)(=O)=N[Si](C)(C)C(C)(C)C)cc1CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C22H44N2O3SSi2/c1-20(2,3)29(9,10)24-28(23,26)18-13-14-19(22(7,8)25)17(15-18)16-27-30(11,12)21(4,5)6/h13-15,25H,16H2,1-12H3,(H2,23,24,26)
• InChIKey: OBKRPZJQRCFUEP-UHFFFAOYSA-N
• XLogP: 6.14
• TPSA: 84.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.84
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	2
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 2-[4-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-2-ol?

The IUPAC name of 2-[4-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-2-ol (CID 151296024) is 2-[4-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-2-ol.

What is the SMILES notation for 2-[4-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-2-ol?

The canonical SMILES for 2-[4-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-2-ol is CC(C)(O)c1ccc(S(N)(=O)=N[Si](C)(C)C(C)(C)C)cc1CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of 2-[4-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-2-ol?

The InChIKey is OBKRPZJQRCFUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O3SSi2/c1-20(2,3)29(9,10)24-28(23,26)18-13-14-19(22(7,8)25)17(15-18)16-27-30(11,12)21(4,5)6/h13-15,25H,16H2,1-12H3,(H2,23,24,26).

What are the key properties of 2-[4-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-2-ol?

2-[4-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-2-ol has a molecular weight of 472.84 g/mol, XLogP of 6.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-2-ol is sourced from PubChem (CID 151296024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).