N-methyl-3-methylsulfanylprop-2-enamide

Details

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Internal ID 9e2ca05f-adb9-4b80-9b21-e8060b6a1678
Taxonomy Organic acids and derivatives > Vinylogous thioesters
IUPAC Name N-methyl-3-methylsulfanylprop-2-enamide
SMILES (Canonical) CNC(=O)C=CSC
SMILES (Isomeric) CNC(=O)C=CSC
InChI InChI=1S/C5H9NOS/c1-6-5(7)3-4-8-2/h3-4H,1-2H3,(H,6,7)
InChI Key VRYCXSSOSLPIDH-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C5H9NOS
Molecular Weight 131.20 g/mol
Exact Mass 131.04048508 g/mol
Topological Polar Surface Area (TPSA) 54.40 Ų
XlogP 0.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of N-methyl-3-methylsulfanylprop-2-enamide

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 87.33% 89.34%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.50% 96.09%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Glycosmis chlorosperma
Glycosmis mauritiana
Glycosmis parviflora

Cross-Links

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PubChem 85085266
LOTUS LTS0036262
wikiData Q105292046