4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2,6-diphenyl-1,4lambda5-thiaphosphinine 4-oxide

C22H24NO2PS — CID 2311649

IUPAC4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2,6-diphenyl-1,4lambda5-thiaphosphinine 4-oxide
SMILESC[C@H]1CN(P2(=O)C=C(c3ccccc3)SC(c3ccccc3)=C2)C[C@H](C)O1
InChIInChI=1S/C22H24NO2PS/c1-17-13-23(14-18(2)25-17)26(24)15-21(19-9-5-3-6-10-19)27-22(16-26)20-11-7-4-8-12-20/h3-12,15-18H,13-14H2,1-2H3/t17-,18-/m0/s1
InChIKeyZPQNFGPWDSOKLV-ROUUACIJSA-N
MW397.48 g/mol
LogP6.12
Rot. Bonds3

About 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2,6-diphenyl-1,4lambda5-thiaphosphinine 4-oxide

4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2,6-diphenyl-1,4lambda5-thiaphosphinine 4-oxide (PubChem CID 2311649) has the molecular formula C22H24NO2PS and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2,6-diphenyl-1,4lambda5-thiaphosphinine 4-oxide.

Molecular Properties

Compound Name4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2,6-diphenyl-1,4lambda5-thiaphosphinine 4-oxide
PubChem CID2311649
Molecular FormulaC22H24NO2PS
Molecular Weight397.48 g/mol
Exact Mass397.13
IUPAC Name4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2,6-diphenyl-1,4lambda5-thiaphosphinine 4-oxide
SMILESC[C@H]1CN(P2(=O)C=C(c3ccccc3)SC(c3ccccc3)=C2)C[C@H](C)O1
InChIInChI=1S/C22H24NO2PS/c1-17-13-23(14-18(2)25-17)26(24)15-21(19-9-5-3-6-10-19)27-22(16-26)20-11-7-4-8-12-20/h3-12,15-18H,13-14H2,1-2H3/t17-,18-/m0/s1
InChIKeyZPQNFGPWDSOKLV-ROUUACIJSA-N
XLogP6.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 56.12
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-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2,6-diphenyl-1,4lambda5-thiaphosphinine 4-oxide?
The IUPAC name of 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2,6-diphenyl-1,4lambda5-thiaphosphinine 4-oxide (CID 2311649) is 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2,6-diphenyl-1,4lambda5-thiaphosphinine 4-oxide.
What is the SMILES notation for 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2,6-diphenyl-1,4lambda5-thiaphosphinine 4-oxide?
The canonical SMILES for 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2,6-diphenyl-1,4lambda5-thiaphosphinine 4-oxide is C[C@H]1CN(P2(=O)C=C(c3ccccc3)SC(c3ccccc3)=C2)C[C@H](C)O1.
What is the InChIKey of 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2,6-diphenyl-1,4lambda5-thiaphosphinine 4-oxide?
The InChIKey is ZPQNFGPWDSOKLV-ROUUACIJSA-N. The full InChI is InChI=1S/C22H24NO2PS/c1-17-13-23(14-18(2)25-17)26(24)15-21(19-9-5-3-6-10-19)27-22(16-26)20-11-7-4-8-12-20/h3-12,15-18H,13-14H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2,6-diphenyl-1,4lambda5-thiaphosphinine 4-oxide?
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2,6-diphenyl-1,4lambda5-thiaphosphinine 4-oxide has a molecular weight of 397.48 g/mol, XLogP of 6.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2,6-diphenyl-1,4lambda5-thiaphosphinine 4-oxide is sourced from PubChem (CID 2311649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).