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

C22H25NO3P2S — CID 74763188

IUPAC(1R)-1-dimethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylethanamine
SMILESCOP(=O)(OC)[C@@](C)(NP(=S)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO3P2S/c1-22(28(24,25-2)26-3,19-13-7-4-8-14-19)23-27(29,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3,(H,23,29)/t22-/m1/s1
InChIKeyGYMJLEFDAIOMAC-JOCHJYFZSA-N
MW445.46 g/mol
LogP4.98
Rot. Bonds8

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

(1R)-1-dimethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylethanamine (PubChem CID 74763188) has the molecular formula C22H25NO3P2S and a molecular weight of 445.46 g/mol. Its IUPAC name is (1R)-1-dimethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-1-dimethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylethanamine
PubChem CID74763188
Molecular FormulaC22H25NO3P2S
Molecular Weight445.46 g/mol
Exact Mass445.10
IUPAC Name(1R)-1-dimethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylethanamine
SMILESCOP(=O)(OC)[C@@](C)(NP(=S)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO3P2S/c1-22(28(24,25-2)26-3,19-13-7-4-8-14-19)23-27(29,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3,(H,23,29)/t22-/m1/s1
InChIKeyGYMJLEFDAIOMAC-JOCHJYFZSA-N
XLogP4.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.46
LogP ≤ 54.98
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

tert-butyl N-[(1R)-1-dimethoxyphosphoryl-1-phenylethyl]carbamate
CID 122225403
(1S)-1-(4-chlorophenyl)-1-diethoxyphosphoryl-N-diphenylphosphorylethanamine
CID 135031831
1-diphenylphosphoryl-1-phenylethanol
CID 155934602
(1S)-1-dimethoxyphosphoryl-1-phenylpropan-1-ol
CID 125471750
1-dimethoxyphosphoryl-2,2,2-trifluoro-1-phenylethanol
CID 102046247
methoxy-methyl-phenyl-sulfanylidene-λ5-phosphane
CID 12650712
2-chloro-1-dimethoxyphosphoryl-1-phenylethanol
CID 12886121
methoxymethane;[methyl(phenyl)phosphoryl]benzene
CID 90840778
(1R)-N-diphenylphosphoryl-1-isocyano-1-phenylethanamine
CID 134998534
tert-butylbenzene;methyl formate
CID 174802474
1-dimethoxyphosphoryl-1,1-difluoroethane;ethane;toluene
CID 159167607
(2R)-N-diphenylphosphinothioyl-2-phenyl-4-thiophen-3-ylbut-3-yn-2-amine
CID 134947335

Frequently Asked Questions

What is the IUPAC name of (1R)-1-dimethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylethanamine?
The IUPAC name of (1R)-1-dimethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylethanamine (CID 74763188) is (1R)-1-dimethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylethanamine.
What is the SMILES notation for (1R)-1-dimethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylethanamine?
The canonical SMILES for (1R)-1-dimethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylethanamine is COP(=O)(OC)[C@@](C)(NP(=S)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-1-dimethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylethanamine?
The InChIKey is GYMJLEFDAIOMAC-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H25NO3P2S/c1-22(28(24,25-2)26-3,19-13-7-4-8-14-19)23-27(29,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3,(H,23,29)/t22-/m1/s1.
What are the key properties of (1R)-1-dimethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylethanamine?
(1R)-1-dimethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylethanamine has a molecular weight of 445.46 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-dimethoxyphosphoryl-N-diphenylphosphinothioyl-1-phenylethanamine is sourced from PubChem (CID 74763188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).