(1R)-N-diphenylphosphoryl-3-phenyl-1-thiophen-2-ylprop-2-yn-1-amine

C25H20NOPS — CID 101481565

IUPAC(1R)-N-diphenylphosphoryl-3-phenyl-1-thiophen-2-ylprop-2-yn-1-amine
SMILESO=P(N[C@H](C#Cc1ccccc1)c1cccs1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H20NOPS/c27-28(22-13-6-2-7-14-22,23-15-8-3-9-16-23)26-24(25-17-10-20-29-25)19-18-21-11-4-1-5-12-21/h1-17,20,24H,(H,26,27)/t24-/m1/s1
InChIKeyNGXRMGKDIYTDML-XMMPIXPASA-N
MW413.48 g/mol
LogP5.36
Rot. Bonds5

About (1R)-N-diphenylphosphoryl-3-phenyl-1-thiophen-2-ylprop-2-yn-1-amine

(1R)-N-diphenylphosphoryl-3-phenyl-1-thiophen-2-ylprop-2-yn-1-amine (PubChem CID 101481565) has the molecular formula C25H20NOPS and a molecular weight of 413.48 g/mol. Its IUPAC name is (1R)-N-diphenylphosphoryl-3-phenyl-1-thiophen-2-ylprop-2-yn-1-amine.

Molecular Properties

Compound Name(1R)-N-diphenylphosphoryl-3-phenyl-1-thiophen-2-ylprop-2-yn-1-amine
PubChem CID101481565
Molecular FormulaC25H20NOPS
Molecular Weight413.48 g/mol
Exact Mass413.10
IUPAC Name(1R)-N-diphenylphosphoryl-3-phenyl-1-thiophen-2-ylprop-2-yn-1-amine
SMILESO=P(N[C@H](C#Cc1ccccc1)c1cccs1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H20NOPS/c27-28(22-13-6-2-7-14-22,23-15-8-3-9-16-23)26-24(25-17-10-20-29-25)19-18-21-11-4-1-5-12-21/h1-17,20,24H,(H,26,27)/t24-/m1/s1
InChIKeyNGXRMGKDIYTDML-XMMPIXPASA-N
XLogP5.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-N-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylprop-2-yn-1-amine
CID 101481551
(3S)-N-diphenylphosphoryl-4-methyl-1-phenylpent-1-yn-3-amine
CID 102043230
(1S)-3-phenyl-1-thiophen-2-ylprop-2-yn-1-ol
CID 872569
N-[(1R)-1,3-diphenylprop-2-ynyl]hydroxylamine
CID 134926721
N-(1,3-diphenylprop-2-ynyl)aniline
CID 11196846
N-[diphenylphosphoryl(thiophen-2-yl)methyl]-1,3-benzodioxol-5-amine
CID 134103675
3-(3-diphenylphosphorylprop-2-ynoxy)prop-1-ynylbenzene
CID 51355398
(1S)-N-diphenylphosphoryl-1-phenylbut-3-en-1-amine
CID 139116114
1-diethoxyphosphoryl-N-diphenylphosphorylpropan-1-amine
CID 177454957
[phenyl(thiophen-2-yl)methyl]hydrazine
CID 53403118
phenyl(thiophen-2-yl)phosphinic acid
CID 134117623
1-thiophen-2-ylprop-2-ynylhydrazine
CID 105193613

Frequently Asked Questions

What is the IUPAC name of (1R)-N-diphenylphosphoryl-3-phenyl-1-thiophen-2-ylprop-2-yn-1-amine?
The IUPAC name of (1R)-N-diphenylphosphoryl-3-phenyl-1-thiophen-2-ylprop-2-yn-1-amine (CID 101481565) is (1R)-N-diphenylphosphoryl-3-phenyl-1-thiophen-2-ylprop-2-yn-1-amine.
What is the SMILES notation for (1R)-N-diphenylphosphoryl-3-phenyl-1-thiophen-2-ylprop-2-yn-1-amine?
The canonical SMILES for (1R)-N-diphenylphosphoryl-3-phenyl-1-thiophen-2-ylprop-2-yn-1-amine is O=P(N[C@H](C#Cc1ccccc1)c1cccs1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-N-diphenylphosphoryl-3-phenyl-1-thiophen-2-ylprop-2-yn-1-amine?
The InChIKey is NGXRMGKDIYTDML-XMMPIXPASA-N. The full InChI is InChI=1S/C25H20NOPS/c27-28(22-13-6-2-7-14-22,23-15-8-3-9-16-23)26-24(25-17-10-20-29-25)19-18-21-11-4-1-5-12-21/h1-17,20,24H,(H,26,27)/t24-/m1/s1.
What are the key properties of (1R)-N-diphenylphosphoryl-3-phenyl-1-thiophen-2-ylprop-2-yn-1-amine?
(1R)-N-diphenylphosphoryl-3-phenyl-1-thiophen-2-ylprop-2-yn-1-amine has a molecular weight of 413.48 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-diphenylphosphoryl-3-phenyl-1-thiophen-2-ylprop-2-yn-1-amine is sourced from PubChem (CID 101481565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).