[2-(2-hydroxyanilino)-2-oxoethyl] N,N-dimethylcarbamodithioate

C11H14N2O2S2 — CID 2140174

IUPAC[2-(2-hydroxyanilino)-2-oxoethyl] N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)SCC(=O)Nc1ccccc1O
InChIInChI=1S/C11H14N2O2S2/c1-13(2)11(16)17-7-10(15)12-8-5-3-4-6-9(8)14/h3-6,14H,7H2,1-2H3,(H,12,15)
InChIKeyQGYFSSGYMDSNPM-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.91
Rot. Bonds3

About [2-(2-hydroxyanilino)-2-oxoethyl] N,N-dimethylcarbamodithioate

[2-(2-hydroxyanilino)-2-oxoethyl] N,N-dimethylcarbamodithioate (PubChem CID 2140174) has the molecular formula C11H14N2O2S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is [2-(2-hydroxyanilino)-2-oxoethyl] N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name[2-(2-hydroxyanilino)-2-oxoethyl] N,N-dimethylcarbamodithioate
PubChem CID2140174
Molecular FormulaC11H14N2O2S2
Molecular Weight270.38 g/mol
Exact Mass270.05
IUPAC Name[2-(2-hydroxyanilino)-2-oxoethyl] N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)SCC(=O)Nc1ccccc1O
InChIInChI=1S/C11H14N2O2S2/c1-13(2)11(16)17-7-10(15)12-8-5-3-4-6-9(8)14/h3-6,14H,7H2,1-2H3,(H,12,15)
InChIKeyQGYFSSGYMDSNPM-UHFFFAOYSA-N
XLogP1.91
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyphenyl)-2-phenylsulfanylacetamide
CID 893908
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] N,N-diethylcarbamodithioate
CID 7841574
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] N,N-dimethylcarbamodithioate
CID 7554700
[2-(4-methyl-2-nitroanilino)-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 3985063
N-(2-hydroxyphenyl)-2-iodoacetamide
CID 66791865
N-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)sulfanylacetamide
CID 22925705
3-(2-hydroxyanilino)-3-oxopropanoic acid
CID 69016240
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] N,N-diethylcarbamodithioate
CID 9490918
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 3615855
ethane;N-(2-hydroxyphenyl)butanamide
CID 142538893
2-(2,4-diaminophenyl)-N-(2-hydroxyphenyl)acetamide
CID 69335715
2-[2-(2-hydroxyanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 51284419

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyanilino)-2-oxoethyl] N,N-dimethylcarbamodithioate?
The IUPAC name of [2-(2-hydroxyanilino)-2-oxoethyl] N,N-dimethylcarbamodithioate (CID 2140174) is [2-(2-hydroxyanilino)-2-oxoethyl] N,N-dimethylcarbamodithioate.
What is the SMILES notation for [2-(2-hydroxyanilino)-2-oxoethyl] N,N-dimethylcarbamodithioate?
The canonical SMILES for [2-(2-hydroxyanilino)-2-oxoethyl] N,N-dimethylcarbamodithioate is CN(C)C(=S)SCC(=O)Nc1ccccc1O.
What is the InChIKey of [2-(2-hydroxyanilino)-2-oxoethyl] N,N-dimethylcarbamodithioate?
The InChIKey is QGYFSSGYMDSNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S2/c1-13(2)11(16)17-7-10(15)12-8-5-3-4-6-9(8)14/h3-6,14H,7H2,1-2H3,(H,12,15).
What are the key properties of [2-(2-hydroxyanilino)-2-oxoethyl] N,N-dimethylcarbamodithioate?
[2-(2-hydroxyanilino)-2-oxoethyl] N,N-dimethylcarbamodithioate has a molecular weight of 270.38 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyanilino)-2-oxoethyl] N,N-dimethylcarbamodithioate is sourced from PubChem (CID 2140174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).