[2-(2,6-dimethylanilino)-2-oxoethyl] N,N-diethylcarbamodithioate

C15H22N2OS2 — CID 2842840

IUPAC[2-(2,6-dimethylanilino)-2-oxoethyl] N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)SCC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C15H22N2OS2/c1-5-17(6-2)15(19)20-10-13(18)16-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,16,18)
InChIKeyVVQNCKALBJLFOF-UHFFFAOYSA-N
MW310.49 g/mol
LogP3.60
Rot. Bonds5

About [2-(2,6-dimethylanilino)-2-oxoethyl] N,N-diethylcarbamodithioate

[2-(2,6-dimethylanilino)-2-oxoethyl] N,N-diethylcarbamodithioate (PubChem CID 2842840) has the molecular formula C15H22N2OS2 and a molecular weight of 310.49 g/mol. Its IUPAC name is [2-(2,6-dimethylanilino)-2-oxoethyl] N,N-diethylcarbamodithioate.

Molecular Properties

Compound Name[2-(2,6-dimethylanilino)-2-oxoethyl] N,N-diethylcarbamodithioate
PubChem CID2842840
Molecular FormulaC15H22N2OS2
Molecular Weight310.49 g/mol
Exact Mass310.12
IUPAC Name[2-(2,6-dimethylanilino)-2-oxoethyl] N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)SCC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C15H22N2OS2/c1-5-17(6-2)15(19)20-10-13(18)16-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,16,18)
InChIKeyVVQNCKALBJLFOF-UHFFFAOYSA-N
XLogP3.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] N,N-diethylcarbamodithioate
CID 8818430
[2-oxo-2-(quinolin-5-ylamino)ethyl] N,N-diethylcarbamodithioate
CID 43039225
[2-(4-acetylanilino)-2-oxoethyl] N,N-diethylcarbamodithioate
CID 2289708
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] N,N-diethylcarbamodithioate
CID 7841574
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] N,N-diethylcarbamodithioate
CID 9490918
2-[[4-amino-5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 7880509
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-2-hydroxy-2,2-diphenylacetamide
CID 167875350
5-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-2-methylbenzamide
CID 120636103
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
CID 89442401
CID 89442401
N-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylcarbamothioyl]-4-methylbenzamide
CID 3719090
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] N,N-diethylcarbamodithioate
CID 7841301

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl] N,N-diethylcarbamodithioate?
The IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl] N,N-diethylcarbamodithioate (CID 2842840) is [2-(2,6-dimethylanilino)-2-oxoethyl] N,N-diethylcarbamodithioate.
What is the SMILES notation for [2-(2,6-dimethylanilino)-2-oxoethyl] N,N-diethylcarbamodithioate?
The canonical SMILES for [2-(2,6-dimethylanilino)-2-oxoethyl] N,N-diethylcarbamodithioate is CCN(CC)C(=S)SCC(=O)Nc1c(C)cccc1C.
What is the InChIKey of [2-(2,6-dimethylanilino)-2-oxoethyl] N,N-diethylcarbamodithioate?
The InChIKey is VVQNCKALBJLFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS2/c1-5-17(6-2)15(19)20-10-13(18)16-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,16,18).
What are the key properties of [2-(2,6-dimethylanilino)-2-oxoethyl] N,N-diethylcarbamodithioate?
[2-(2,6-dimethylanilino)-2-oxoethyl] N,N-diethylcarbamodithioate has a molecular weight of 310.49 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylanilino)-2-oxoethyl] N,N-diethylcarbamodithioate is sourced from PubChem (CID 2842840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).