(1R)-1-diethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylpropan-1-amine

C25H31NO3P2S — CID 74763190

IUPAC(1R)-1-diethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylpropan-1-amine
SMILESCCOP(=O)(OCC)[C@@](CC)(NP(=S)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H31NO3P2S/c1-4-25(22-16-10-7-11-17-22,31(27,28-5-2)29-6-3)26-30(32,23-18-12-8-13-19-23)24-20-14-9-15-21-24/h7-21H,4-6H2,1-3H3,(H,26,32)/t25-/m1/s1
InChIKeyOXMXVKJAGIANIA-RUZDIDTESA-N
MW487.54 g/mol
LogP6.15
Rot. Bonds11

About (1R)-1-diethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylpropan-1-amine

(1R)-1-diethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylpropan-1-amine (PubChem CID 74763190) has the molecular formula C25H31NO3P2S and a molecular weight of 487.54 g/mol. Its IUPAC name is (1R)-1-diethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-diethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylpropan-1-amine
PubChem CID74763190
Molecular FormulaC25H31NO3P2S
Molecular Weight487.54 g/mol
Exact Mass487.15
IUPAC Name(1R)-1-diethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylpropan-1-amine
SMILESCCOP(=O)(OCC)[C@@](CC)(NP(=S)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H31NO3P2S/c1-4-25(22-16-10-7-11-17-22,31(27,28-5-2)29-6-3)26-30(32,23-18-12-8-13-19-23)24-20-14-9-15-21-24/h7-21H,4-6H2,1-3H3,(H,26,32)/t25-/m1/s1
InChIKeyOXMXVKJAGIANIA-RUZDIDTESA-N
XLogP6.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.54
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-diethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylpropan-1-amine?
The IUPAC name of (1R)-1-diethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylpropan-1-amine (CID 74763190) is (1R)-1-diethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylpropan-1-amine.
What is the SMILES notation for (1R)-1-diethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylpropan-1-amine?
The canonical SMILES for (1R)-1-diethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylpropan-1-amine is CCOP(=O)(OCC)[C@@](CC)(NP(=S)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-1-diethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylpropan-1-amine?
The InChIKey is OXMXVKJAGIANIA-RUZDIDTESA-N. The full InChI is InChI=1S/C25H31NO3P2S/c1-4-25(22-16-10-7-11-17-22,31(27,28-5-2)29-6-3)26-30(32,23-18-12-8-13-19-23)24-20-14-9-15-21-24/h7-21H,4-6H2,1-3H3,(H,26,32)/t25-/m1/s1.
What are the key properties of (1R)-1-diethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylpropan-1-amine?
(1R)-1-diethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylpropan-1-amine has a molecular weight of 487.54 g/mol, XLogP of 6.15, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-diethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylpropan-1-amine is sourced from PubChem (CID 74763190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).