4-morpholin-4-yl-2,6-diphenyl-1,4lambda5-thiaphosphinine 4-oxide

C20H20NO2PS — CID 2313643

IUPAC4-morpholin-4-yl-2,6-diphenyl-1,4lambda5-thiaphosphinine 4-oxide
SMILESO=P1(N2CCOCC2)C=C(c2ccccc2)SC(c2ccccc2)=C1
InChIInChI=1S/C20H20NO2PS/c22-24(21-11-13-23-14-12-21)15-19(17-7-3-1-4-8-17)25-20(16-24)18-9-5-2-6-10-18/h1-10,15-16H,11-14H2
InChIKeyOSGQUNULYPGAQH-UHFFFAOYSA-N
MW369.43 g/mol
LogP5.34
Rot. Bonds3

About 4-morpholin-4-yl-2,6-diphenyl-1,4lambda5-thiaphosphinine 4-oxide

4-morpholin-4-yl-2,6-diphenyl-1,4lambda5-thiaphosphinine 4-oxide (PubChem CID 2313643) has the molecular formula C20H20NO2PS and a molecular weight of 369.43 g/mol. Its IUPAC name is 4-morpholin-4-yl-2,6-diphenyl-1,4lambda5-thiaphosphinine 4-oxide.

Molecular Properties

Compound Name4-morpholin-4-yl-2,6-diphenyl-1,4lambda5-thiaphosphinine 4-oxide
PubChem CID2313643
Molecular FormulaC20H20NO2PS
Molecular Weight369.43 g/mol
Exact Mass369.10
IUPAC Name4-morpholin-4-yl-2,6-diphenyl-1,4lambda5-thiaphosphinine 4-oxide
SMILESO=P1(N2CCOCC2)C=C(c2ccccc2)SC(c2ccccc2)=C1
InChIInChI=1S/C20H20NO2PS/c22-24(21-11-13-23-14-12-21)15-19(17-7-3-1-4-8-17)25-20(16-24)18-9-5-2-6-10-18/h1-10,15-16H,11-14H2
InChIKeyOSGQUNULYPGAQH-UHFFFAOYSA-N
XLogP5.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.43
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-2,6-diphenyl-1,4lambda5-thiaphosphinine 4-oxide?
The IUPAC name of 4-morpholin-4-yl-2,6-diphenyl-1,4lambda5-thiaphosphinine 4-oxide (CID 2313643) is 4-morpholin-4-yl-2,6-diphenyl-1,4lambda5-thiaphosphinine 4-oxide.
What is the SMILES notation for 4-morpholin-4-yl-2,6-diphenyl-1,4lambda5-thiaphosphinine 4-oxide?
The canonical SMILES for 4-morpholin-4-yl-2,6-diphenyl-1,4lambda5-thiaphosphinine 4-oxide is O=P1(N2CCOCC2)C=C(c2ccccc2)SC(c2ccccc2)=C1.
What is the InChIKey of 4-morpholin-4-yl-2,6-diphenyl-1,4lambda5-thiaphosphinine 4-oxide?
The InChIKey is OSGQUNULYPGAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20NO2PS/c22-24(21-11-13-23-14-12-21)15-19(17-7-3-1-4-8-17)25-20(16-24)18-9-5-2-6-10-18/h1-10,15-16H,11-14H2.
What are the key properties of 4-morpholin-4-yl-2,6-diphenyl-1,4lambda5-thiaphosphinine 4-oxide?
4-morpholin-4-yl-2,6-diphenyl-1,4lambda5-thiaphosphinine 4-oxide has a molecular weight of 369.43 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-2,6-diphenyl-1,4lambda5-thiaphosphinine 4-oxide is sourced from PubChem (CID 2313643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).