[2-[benzyl(methyl)amino]-2-oxoethyl] morpholine-4-carbodithioate

C15H20N2O2S2 — CID 87047530

IUPAC[2-[benzyl(methyl)amino]-2-oxoethyl] morpholine-4-carbodithioate
SMILESCN(Cc1ccccc1)C(=O)CSC(=S)N1CCOCC1
InChIInChI=1S/C15H20N2O2S2/c1-16(11-13-5-3-2-4-6-13)14(18)12-21-15(20)17-7-9-19-10-8-17/h2-6H,7-12H2,1H3
InChIKeySDGOLPSXRQCKAC-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.00
Rot. Bonds4

About [2-[benzyl(methyl)amino]-2-oxoethyl] morpholine-4-carbodithioate

[2-[benzyl(methyl)amino]-2-oxoethyl] morpholine-4-carbodithioate (PubChem CID 87047530) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-2-oxoethyl] morpholine-4-carbodithioate.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-2-oxoethyl] morpholine-4-carbodithioate
PubChem CID87047530
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name[2-[benzyl(methyl)amino]-2-oxoethyl] morpholine-4-carbodithioate
SMILESCN(Cc1ccccc1)C(=O)CSC(=S)N1CCOCC1
InChIInChI=1S/C15H20N2O2S2/c1-16(11-13-5-3-2-4-6-13)14(18)12-21-15(20)17-7-9-19-10-8-17/h2-6H,7-12H2,1H3
InChIKeySDGOLPSXRQCKAC-UHFFFAOYSA-N
XLogP2.00
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-[benzyl(methyl)amino]-2-oxoethyl] morpholine-4-carbodithioate 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

[2-[benzyl(methyl)amino]-2-oxoethyl] piperidine-1-carbodithioate
CID 87047534
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 78765929
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-benzyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-methylacetamide
CID 7976669
[2-[benzyl(methyl)amino]-2-oxoethyl] N'-aminocarbamimidothioate
CID 77060647
2-[benzyl(propyl)amino]-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 46671885
[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-2-oxoethyl] (3R)-3-methylpiperidine-1-carbodithioate
CID 8967304
N-benzyl-N-methyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944328
N-methyl-N-[(4-methylphenyl)methyl]morpholine-4-carboxamide
CID 115575680
(E)-N-benzyl-N-methyl-2-(morpholin-4-ylmethyl)but-2-enamide
CID 177014366
N-benzyl-2-(2-hydroxyethylsulfanyl)-N-methylacetamide
CID 43392395
N-benzyl-N-methyl-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109082965

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] morpholine-4-carbodithioate?
The IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] morpholine-4-carbodithioate (CID 87047530) is [2-[benzyl(methyl)amino]-2-oxoethyl] morpholine-4-carbodithioate.
What is the SMILES notation for [2-[benzyl(methyl)amino]-2-oxoethyl] morpholine-4-carbodithioate?
The canonical SMILES for [2-[benzyl(methyl)amino]-2-oxoethyl] morpholine-4-carbodithioate is CN(Cc1ccccc1)C(=O)CSC(=S)N1CCOCC1.
What is the InChIKey of [2-[benzyl(methyl)amino]-2-oxoethyl] morpholine-4-carbodithioate?
The InChIKey is SDGOLPSXRQCKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-16(11-13-5-3-2-4-6-13)14(18)12-21-15(20)17-7-9-19-10-8-17/h2-6H,7-12H2,1H3.
What are the key properties of [2-[benzyl(methyl)amino]-2-oxoethyl] morpholine-4-carbodithioate?
[2-[benzyl(methyl)amino]-2-oxoethyl] morpholine-4-carbodithioate has a molecular weight of 324.47 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-2-oxoethyl] morpholine-4-carbodithioate is sourced from PubChem (CID 87047530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).