N-[diethylamino-(4-morpholin-4-ylphenyl)phosphinothioyl]-N-ethylethanamine

C18H32N3OPS — CID 2328451

IUPACN-[diethylamino-(4-morpholin-4-ylphenyl)phosphinothioyl]-N-ethylethanamine
SMILESCCN(CC)P(=S)(c1ccc(N2CCOCC2)cc1)N(CC)CC
InChIInChI=1S/C18H32N3OPS/c1-5-20(6-2)23(24,21(7-3)8-4)18-11-9-17(10-12-18)19-13-15-22-16-14-19/h9-12H,5-8,13-16H2,1-4H3
InChIKeyWNNLXJPEDADVAL-UHFFFAOYSA-N
MW369.52 g/mol
LogP3.14
Rot. Bonds8

About N-[diethylamino-(4-morpholin-4-ylphenyl)phosphinothioyl]-N-ethylethanamine

N-[diethylamino-(4-morpholin-4-ylphenyl)phosphinothioyl]-N-ethylethanamine (PubChem CID 2328451) has the molecular formula C18H32N3OPS and a molecular weight of 369.52 g/mol. Its IUPAC name is N-[diethylamino-(4-morpholin-4-ylphenyl)phosphinothioyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[diethylamino-(4-morpholin-4-ylphenyl)phosphinothioyl]-N-ethylethanamine
PubChem CID2328451
Molecular FormulaC18H32N3OPS
Molecular Weight369.52 g/mol
Exact Mass369.20
IUPAC NameN-[diethylamino-(4-morpholin-4-ylphenyl)phosphinothioyl]-N-ethylethanamine
SMILESCCN(CC)P(=S)(c1ccc(N2CCOCC2)cc1)N(CC)CC
InChIInChI=1S/C18H32N3OPS/c1-5-20(6-2)23(24,21(7-3)8-4)18-11-9-17(10-12-18)19-13-15-22-16-14-19/h9-12H,5-8,13-16H2,1-4H3
InChIKeyWNNLXJPEDADVAL-UHFFFAOYSA-N
XLogP3.14
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[diethylamino-(4-morpholin-4-ylphenyl)phosphinothioyl]-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-ethylphenyl)morpholine
CID 20576442
N,N-dimethyl-4-morpholin-4-ylaniline
CID 11264229
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
1-(4-morpholin-4-ylphenyl)propan-1-amine
CID 103693302
4-[4-[(E)-hex-2-en-2-yl]phenyl]morpholine
CID 143867086
4-[4-[(E)-3-(4-morpholin-4-ylphenyl)but-2-en-2-yl]phenyl]morpholine
CID 15946701
(4-morpholin-4-ylphenyl)methanol
CID 2776456
4-(4-ethyl-3-methylphenyl)morpholine
CID 71052308
1-N,1-N,4-N-trimethyl-4-N-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]benzene-1,4-diamine
CID 101022137
N-butyl-4-morpholin-4-ylaniline
CID 28675754

Frequently Asked Questions

What is the IUPAC name of N-[diethylamino-(4-morpholin-4-ylphenyl)phosphinothioyl]-N-ethylethanamine?
The IUPAC name of N-[diethylamino-(4-morpholin-4-ylphenyl)phosphinothioyl]-N-ethylethanamine (CID 2328451) is N-[diethylamino-(4-morpholin-4-ylphenyl)phosphinothioyl]-N-ethylethanamine.
What is the SMILES notation for N-[diethylamino-(4-morpholin-4-ylphenyl)phosphinothioyl]-N-ethylethanamine?
The canonical SMILES for N-[diethylamino-(4-morpholin-4-ylphenyl)phosphinothioyl]-N-ethylethanamine is CCN(CC)P(=S)(c1ccc(N2CCOCC2)cc1)N(CC)CC.
What is the InChIKey of N-[diethylamino-(4-morpholin-4-ylphenyl)phosphinothioyl]-N-ethylethanamine?
The InChIKey is WNNLXJPEDADVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N3OPS/c1-5-20(6-2)23(24,21(7-3)8-4)18-11-9-17(10-12-18)19-13-15-22-16-14-19/h9-12H,5-8,13-16H2,1-4H3.
What are the key properties of N-[diethylamino-(4-morpholin-4-ylphenyl)phosphinothioyl]-N-ethylethanamine?
N-[diethylamino-(4-morpholin-4-ylphenyl)phosphinothioyl]-N-ethylethanamine has a molecular weight of 369.52 g/mol, XLogP of 3.14, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diethylamino-(4-morpholin-4-ylphenyl)phosphinothioyl]-N-ethylethanamine is sourced from PubChem (CID 2328451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).