1-thiophen-2-yl-N-tribenzylsilyloxymethanimine

C26H25NOSSi — CID 91224164

IUPAC1-thiophen-2-yl-N-tribenzylsilyloxymethanimine
SMILESC(=NO[Si](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)c1cccs1
InChIInChI=1S/C26H25NOSSi/c1-4-11-23(12-5-1)20-30(21-24-13-6-2-7-14-24,22-25-15-8-3-9-16-25)28-27-19-26-17-10-18-29-26/h1-19H,20-22H2
InChIKeyYCCIUUVORJEXTL-UHFFFAOYSA-N
MW427.65 g/mol
LogP6.39
Rot. Bonds9

About 1-thiophen-2-yl-N-tribenzylsilyloxymethanimine

1-thiophen-2-yl-N-tribenzylsilyloxymethanimine (PubChem CID 91224164) has the molecular formula C26H25NOSSi and a molecular weight of 427.65 g/mol. Its IUPAC name is 1-thiophen-2-yl-N-tribenzylsilyloxymethanimine.

Molecular Properties

Compound Name1-thiophen-2-yl-N-tribenzylsilyloxymethanimine
PubChem CID91224164
Molecular FormulaC26H25NOSSi
Molecular Weight427.65 g/mol
Exact Mass427.14
IUPAC Name1-thiophen-2-yl-N-tribenzylsilyloxymethanimine
SMILESC(=NO[Si](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)c1cccs1
InChIInChI=1S/C26H25NOSSi/c1-4-11-23(12-5-1)20-30(21-24-13-6-2-7-14-24,22-25-15-8-3-9-16-25)28-27-19-26-17-10-18-29-26/h1-19H,20-22H2
InChIKeyYCCIUUVORJEXTL-UHFFFAOYSA-N
XLogP6.39
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.65
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-N-tribenzylsilyloxymethanimine?
The IUPAC name of 1-thiophen-2-yl-N-tribenzylsilyloxymethanimine (CID 91224164) is 1-thiophen-2-yl-N-tribenzylsilyloxymethanimine.
What is the SMILES notation for 1-thiophen-2-yl-N-tribenzylsilyloxymethanimine?
The canonical SMILES for 1-thiophen-2-yl-N-tribenzylsilyloxymethanimine is C(=NO[Si](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)c1cccs1.
What is the InChIKey of 1-thiophen-2-yl-N-tribenzylsilyloxymethanimine?
The InChIKey is YCCIUUVORJEXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NOSSi/c1-4-11-23(12-5-1)20-30(21-24-13-6-2-7-14-24,22-25-15-8-3-9-16-25)28-27-19-26-17-10-18-29-26/h1-19H,20-22H2.
What are the key properties of 1-thiophen-2-yl-N-tribenzylsilyloxymethanimine?
1-thiophen-2-yl-N-tribenzylsilyloxymethanimine has a molecular weight of 427.65 g/mol, XLogP of 6.39, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-N-tribenzylsilyloxymethanimine is sourced from PubChem (CID 91224164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).