(E)-N-diphenylphosphinothioyl-4-methylpentan-2-imine

C18H22NPS — CID 135073200

IUPAC(E)-N-diphenylphosphinothioyl-4-methylpentan-2-imine
SMILESC/C(CC(C)C)=N\P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22NPS/c1-15(2)14-16(3)19-20(21,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,15H,14H2,1-3H3/b19-16+
InChIKeyXOTQLXOIYYYSNY-KNTRCKAVSA-N
MW315.42 g/mol
LogP4.54
Rot. Bonds5

About (E)-N-diphenylphosphinothioyl-4-methylpentan-2-imine

(E)-N-diphenylphosphinothioyl-4-methylpentan-2-imine (PubChem CID 135073200) has the molecular formula C18H22NPS and a molecular weight of 315.42 g/mol. Its IUPAC name is (E)-N-diphenylphosphinothioyl-4-methylpentan-2-imine.

Molecular Properties

Compound Name(E)-N-diphenylphosphinothioyl-4-methylpentan-2-imine
PubChem CID135073200
Molecular FormulaC18H22NPS
Molecular Weight315.42 g/mol
Exact Mass315.12
IUPAC Name(E)-N-diphenylphosphinothioyl-4-methylpentan-2-imine
SMILESC/C(CC(C)C)=N\P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22NPS/c1-15(2)14-16(3)19-20(21,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,15H,14H2,1-3H3/b19-16+
InChIKeyXOTQLXOIYYYSNY-KNTRCKAVSA-N
XLogP4.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(E)-N-diphenylphosphinothioyl-4-phenylbutan-2-imine
CID 135072310
4-diphenylphosphinothioylpentan-2-one
CID 134862641
(E)-N-diphenylphosphinothioyl-1-(4-fluorophenyl)ethanimine
CID 71528482
N-[(Z)-4-methylpentan-2-ylideneamino]benzamide
CID 6030985
4-diphenylphosphorylpentan-2-one
CID 13202508
4-methyl-N-(1-phenylbutyl)pentan-2-imine
CID 139668090
bis(dimethylamino)-diphenylphosphinothioyliminophosphanium
CID 23418356
diphenylphosphinothioylsulfanylmethyl(trimethyl)phosphanium chloride
CID 10761988
2-[1-(4-methylpentan-2-ylideneamino)ethyl]aniline
CID 139982506
2-methylpropyl(phenyl)phosphinic acid
CID 793404
2-diphenylphosphinothioyl-N,N-diethylpropanamide
CID 2828065
(E)-N,1-bis(diphenylphosphoryl)propan-2-imine
CID 10813717

Frequently Asked Questions

What is the IUPAC name of (E)-N-diphenylphosphinothioyl-4-methylpentan-2-imine?
The IUPAC name of (E)-N-diphenylphosphinothioyl-4-methylpentan-2-imine (CID 135073200) is (E)-N-diphenylphosphinothioyl-4-methylpentan-2-imine.
What is the SMILES notation for (E)-N-diphenylphosphinothioyl-4-methylpentan-2-imine?
The canonical SMILES for (E)-N-diphenylphosphinothioyl-4-methylpentan-2-imine is C/C(CC(C)C)=N\P(=S)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-diphenylphosphinothioyl-4-methylpentan-2-imine?
The InChIKey is XOTQLXOIYYYSNY-KNTRCKAVSA-N. The full InChI is InChI=1S/C18H22NPS/c1-15(2)14-16(3)19-20(21,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,15H,14H2,1-3H3/b19-16+.
What are the key properties of (E)-N-diphenylphosphinothioyl-4-methylpentan-2-imine?
(E)-N-diphenylphosphinothioyl-4-methylpentan-2-imine has a molecular weight of 315.42 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-diphenylphosphinothioyl-4-methylpentan-2-imine is sourced from PubChem (CID 135073200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).