9-(Methylsulfanyl)nonanal oxime

Details

• Internal ID: 6cc076b0-1b4e-4cd4-a3d3-b0127cf845fa
• Taxonomy: Organic nitrogen compounds > Organonitrogen compounds > Oximes > Aldoximes
• IUPAC Name: N-(9-methylsulfanylnonylidene)hydroxylamine
• SMILES (Canonical): CSCCCCCCCCC=NO
• SMILES (Isomeric): CSCCCCCCCCC=NO
• InChI: InChI=1S/C10H21NOS/c1-13-10-8-6-4-2-3-5-7-9-11-12/h9,12H,2-8,10H2,1H3
• InChI Key: AOYJXBVIPWAMOG-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₂₁NOS
• Molecular Weight: 203.35 g/mol
• Exact Mass: 203.13438547 g/mol
• Topological Polar Surface Area (TPSA): 57.90 Ų
• XlogP: 3.30

Synonyms

• 9-methylthiononanal oxime
• 9-(methylthio)nonanaldoxime
• 9-(methylthio)nonanal oxime
• 9-methylsulfanylnonanaldoxime
• 9-methylsulfanylnonanal oxime
• 9-(methylsulfanyl)nonanaldoxime
• CHEBI:50704
• N-[9-(methylsulfanyl)nonylidene]hydroxylamine

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	89.37%	83.57%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.35%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.04%	96.09%
CHEMBL2885	P07451	Carbonic anhydrase III	86.31%	87.45%
CHEMBL2581	P07339	Cathepsin D	85.77%	98.95%
CHEMBL226	P30542	Adenosine A1 receptor	83.73%	95.93%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	82.03%	91.11%

Plants that contains it

• Arabidopsis thaliana

Cross-Links

• PubChem: 74388159
• LOTUS: LTS0269901
• wikiData: Q27122193