N-methyl-N-[morpholin-4-yl-[(triphenyl-lambda5-phosphanylidene)amino]phosphinothioyl]methanamine

C24H29N3OP2S — CID 13381643

IUPACN-methyl-N-[morpholin-4-yl-[(triphenyl-lambda5-phosphanylidene)amino]phosphinothioyl]methanamine
SMILESCN(C)P(=S)(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCOCC1
InChIInChI=1S/C24H29N3OP2S/c1-26(2)30(31,27-18-20-28-21-19-27)25-29(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17H,18-21H2,1-2H3
InChIKeyATPBYDFGVKHBID-UHFFFAOYSA-N
MW469.53 g/mol
LogP4.28
Rot. Bonds6

About N-methyl-N-[morpholin-4-yl-[(triphenyl-lambda5-phosphanylidene)amino]phosphinothioyl]methanamine

N-methyl-N-[morpholin-4-yl-[(triphenyl-lambda5-phosphanylidene)amino]phosphinothioyl]methanamine (PubChem CID 13381643) has the molecular formula C24H29N3OP2S and a molecular weight of 469.53 g/mol. Its IUPAC name is N-methyl-N-[morpholin-4-yl-[(triphenyl-lambda5-phosphanylidene)amino]phosphinothioyl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[morpholin-4-yl-[(triphenyl-lambda5-phosphanylidene)amino]phosphinothioyl]methanamine
PubChem CID13381643
Molecular FormulaC24H29N3OP2S
Molecular Weight469.53 g/mol
Exact Mass469.15
IUPAC NameN-methyl-N-[morpholin-4-yl-[(triphenyl-lambda5-phosphanylidene)amino]phosphinothioyl]methanamine
SMILESCN(C)P(=S)(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCOCC1
InChIInChI=1S/C24H29N3OP2S/c1-26(2)30(31,27-18-20-28-21-19-27)25-29(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17H,18-21H2,1-2H3
InChIKeyATPBYDFGVKHBID-UHFFFAOYSA-N
XLogP4.28
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.53
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

morpholin-4-yl-diphenyl-sulfanylidene-lambda5-phosphane
CID 10638162
N-methyl-N-[(2-morpholin-4-ylcyclohexen-1-yl)-phenylphosphinothioyl]methanamine
CID 2348885
4-[(2-methylpropan-2-yl)oxy-phenylphosphoryl]morpholine
CID 101075914
N-methyl-N-[morpholin-4-yl-[(2E)-2-(1-phenylethylidene)hydrazinyl]phosphoryl]methanamine
CID 13381625
1-(tert-butyl-morpholin-4-yl-phenyl-λ5-phosphanylidene)-3-(4-methylphenyl)thiourea
CID 4595013
methyl-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane
CID 2506566
(E)-2-diphenylphosphinothioyl-3-morpholin-4-ylbut-2-enenitrile
CID 101256409
phenyl-[(trimorpholin-4-yl-lambda5-phosphanylidene)amino]diazene
CID 13354522
1-(tert-butyl-morpholin-4-yl-phenyl-λ5-phosphanylidene)-3-(2-methylphenyl)thiourea
CID 23986718
4-[[(2E)-2-benzylidenehydrazinyl]-morpholin-4-ylphosphoryl]morpholine
CID 13381631
(2E)-N,N-dimethyl-2-morpholin-4-ylimino-2-phenylacetamide
CID 101005237
N,N-dimethyl-2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)aniline
CID 101213947

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[morpholin-4-yl-[(triphenyl-lambda5-phosphanylidene)amino]phosphinothioyl]methanamine?
The IUPAC name of N-methyl-N-[morpholin-4-yl-[(triphenyl-lambda5-phosphanylidene)amino]phosphinothioyl]methanamine (CID 13381643) is N-methyl-N-[morpholin-4-yl-[(triphenyl-lambda5-phosphanylidene)amino]phosphinothioyl]methanamine.
What is the SMILES notation for N-methyl-N-[morpholin-4-yl-[(triphenyl-lambda5-phosphanylidene)amino]phosphinothioyl]methanamine?
The canonical SMILES for N-methyl-N-[morpholin-4-yl-[(triphenyl-lambda5-phosphanylidene)amino]phosphinothioyl]methanamine is CN(C)P(=S)(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCOCC1.
What is the InChIKey of N-methyl-N-[morpholin-4-yl-[(triphenyl-lambda5-phosphanylidene)amino]phosphinothioyl]methanamine?
The InChIKey is ATPBYDFGVKHBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3OP2S/c1-26(2)30(31,27-18-20-28-21-19-27)25-29(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17H,18-21H2,1-2H3.
What are the key properties of N-methyl-N-[morpholin-4-yl-[(triphenyl-lambda5-phosphanylidene)amino]phosphinothioyl]methanamine?
N-methyl-N-[morpholin-4-yl-[(triphenyl-lambda5-phosphanylidene)amino]phosphinothioyl]methanamine has a molecular weight of 469.53 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[morpholin-4-yl-[(triphenyl-lambda5-phosphanylidene)amino]phosphinothioyl]methanamine is sourced from PubChem (CID 13381643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).