(2E)-2-hydroxyimino-N-(3-methylsulfanylphenyl)acetamide

C9H10N2O2S — CID 10443095

IUPAC(2E)-2-hydroxyimino-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)/C=N/O)c1
InChIInChI=1S/C9H10N2O2S/c1-14-8-4-2-3-7(5-8)11-9(12)6-10-13/h2-6,13H,1H3,(H,11,12)/b10-6+
InChIKeyNBAAGAFZZWXLTI-UXBLZVDNSA-N
MW210.26 g/mol
LogP1.81
Rot. Bonds3

About (2E)-2-hydroxyimino-N-(3-methylsulfanylphenyl)acetamide

(2E)-2-hydroxyimino-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 10443095) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-N-(3-methylsulfanylphenyl)acetamide
PubChem CID10443095
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name(2E)-2-hydroxyimino-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)/C=N/O)c1
InChIInChI=1S/C9H10N2O2S/c1-14-8-4-2-3-7(5-8)11-9(12)6-10-13/h2-6,13H,1H3,(H,11,12)/b10-6+
InChIKeyNBAAGAFZZWXLTI-UXBLZVDNSA-N
XLogP1.81
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3-methylsulfanylphenyl)carbamothioic S-acid
CID 154169667
3-[[(2E)-2-hydroxyiminoacetyl]amino]benzoic acid
CID 6869196
(E)-3-(5-methylfuran-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide
CID 2665588
N-(3-methylsulfanylphenyl)-2-sulfanylacetamide
CID 54336720
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
(2E)-2-hydroxyimino-N-(3-phenoxyphenyl)acetamide
CID 10988880
(2E)-N-(3-fluoro-4-methylphenyl)-2-hydroxyiminoacetamide
CID 71492732
(2S)-2-methylsulfanyl-N-(3-methylsulfanylphenyl)propanamide
CID 38886217
6-(3-methylsulfanylanilino)-6-oxohexanoic acid
CID 43529412
(E)-3-(5-chlorothiophen-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide
CID 24610674
2-isocyano-N-(3-methylsulfanylphenyl)acetamide
CID 108814742
1-(3,5-dichlorophenyl)-3-(3-methylsulfanylphenyl)urea
CID 127577317

Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of (2E)-2-hydroxyimino-N-(3-methylsulfanylphenyl)acetamide (CID 10443095) is (2E)-2-hydroxyimino-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for (2E)-2-hydroxyimino-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for (2E)-2-hydroxyimino-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)/C=N/O)c1.
What is the InChIKey of (2E)-2-hydroxyimino-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is NBAAGAFZZWXLTI-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-14-8-4-2-3-7(5-8)11-9(12)6-10-13/h2-6,13H,1H3,(H,11,12)/b10-6+.
What are the key properties of (2E)-2-hydroxyimino-N-(3-methylsulfanylphenyl)acetamide?
(2E)-2-hydroxyimino-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 210.26 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 10443095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).