(1R)-1-diethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylethanamine

C24H29NO3P2S — CID 74763046

IUPAC(1R)-1-diethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylethanamine
SMILESCCOP(=O)(OCC)[C@@](C)(NP(=S)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H29NO3P2S/c1-4-27-30(26,28-5-2)24(3,21-15-9-6-10-16-21)25-29(31,22-17-11-7-12-18-22)23-19-13-8-14-20-23/h6-20H,4-5H2,1-3H3,(H,25,31)/t24-/m1/s1
InChIKeyNICAOUNJEFWVBT-XMMPIXPASA-N
MW473.52 g/mol
LogP5.76
Rot. Bonds10

About (1R)-1-diethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylethanamine

(1R)-1-diethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylethanamine (PubChem CID 74763046) has the molecular formula C24H29NO3P2S and a molecular weight of 473.52 g/mol. Its IUPAC name is (1R)-1-diethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-1-diethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylethanamine
PubChem CID74763046
Molecular FormulaC24H29NO3P2S
Molecular Weight473.52 g/mol
Exact Mass473.13
IUPAC Name(1R)-1-diethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylethanamine
SMILESCCOP(=O)(OCC)[C@@](C)(NP(=S)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H29NO3P2S/c1-4-27-30(26,28-5-2)24(3,21-15-9-6-10-16-21)25-29(31,22-17-11-7-12-18-22)23-19-13-8-14-20-23/h6-20H,4-5H2,1-3H3,(H,25,31)/t24-/m1/s1
InChIKeyNICAOUNJEFWVBT-XMMPIXPASA-N
XLogP5.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.52
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E,1R)-N-diphenylphosphoryl-3-methyl-1-phenylhept-2-en-1-amine
CID 5461338
Diethyl diphenylmethylamidophosphate
CID 265005
(1R)-N-diphenylphosphoryl-1-phenylethanamine
CID 10615740
P,P-Diphenyl-N-(1-phenylethyl)phosphinic amide
CID 376265
(1R)-1-diethoxyphosphoryl-N-diphenylphosphinothioyl-1-(4-fluorophenyl)ethanamine
CID 74763048
(1S)-N-diphenylphosphoryl-1-phenylethanamine
CID 11809405
(1S)-N-diphenylphosphoryl-1-phenylpropan-1-amine
CID 11823868
N-diphenylphosphoryl-1-phenylpropan-1-amine
CID 13736340
(1R)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-N-diphenylphosphoryl-1-phenylmethanamine
CID 102473571
(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-1-diethoxyphosphoryl-N-diphenylphosphorylethanamine
CID 135031832
(1S)-1-diethoxyphosphoryl-N-diphenylphosphoryl-1-(4-fluorophenyl)ethanamine
CID 135031834
(E)-N-diphenylphosphoryl-1-phenylhept-2-en-1-amine
CID 5461293

Frequently Asked Questions

What is the IUPAC name of (1R)-1-diethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylethanamine?
The IUPAC name of (1R)-1-diethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylethanamine (CID 74763046) is (1R)-1-diethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylethanamine.
What is the SMILES notation for (1R)-1-diethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylethanamine?
The canonical SMILES for (1R)-1-diethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylethanamine is CCOP(=O)(OCC)[C@@](C)(NP(=S)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-1-diethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylethanamine?
The InChIKey is NICAOUNJEFWVBT-XMMPIXPASA-N. The full InChI is InChI=1S/C24H29NO3P2S/c1-4-27-30(26,28-5-2)24(3,21-15-9-6-10-16-21)25-29(31,22-17-11-7-12-18-22)23-19-13-8-14-20-23/h6-20H,4-5H2,1-3H3,(H,25,31)/t24-/m1/s1.
What are the key properties of (1R)-1-diethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylethanamine?
(1R)-1-diethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylethanamine has a molecular weight of 473.52 g/mol, XLogP of 5.76, 10 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-phenylethanamine is sourced from PubChem (CID 74763046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).