2-(2-methoxyanilino)-2-sulfanylideneacetamide

C9H10N2O2S — CID 15526121

IUPAC2-(2-methoxyanilino)-2-sulfanylideneacetamide
SMILESCOc1ccccc1NC(=S)C(N)=O
InChIInChI=1S/C9H10N2O2S/c1-13-7-5-3-2-4-6(7)11-9(14)8(10)12/h2-5H,1H3,(H2,10,12)(H,11,14)
InChIKeyBIZVFPNHJOPHJY-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.92
Rot. Bonds2

About 2-(2-methoxyanilino)-2-sulfanylideneacetamide

2-(2-methoxyanilino)-2-sulfanylideneacetamide (PubChem CID 15526121) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-2-sulfanylideneacetamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-2-sulfanylideneacetamide
PubChem CID15526121
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name2-(2-methoxyanilino)-2-sulfanylideneacetamide
SMILESCOc1ccccc1NC(=S)C(N)=O
InChIInChI=1S/C9H10N2O2S/c1-13-7-5-3-2-4-6(7)11-9(14)8(10)12/h2-5H,1H3,(H2,10,12)(H,11,14)
InChIKeyBIZVFPNHJOPHJY-UHFFFAOYSA-N
XLogP0.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-amino-N-(2-methoxyphenyl)-2-phenyl-3-sulfanylidenepropanamide
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2-(diaminomethylideneamino)-N-(2-methoxyphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-2-sulfanylideneacetamide?
The IUPAC name of 2-(2-methoxyanilino)-2-sulfanylideneacetamide (CID 15526121) is 2-(2-methoxyanilino)-2-sulfanylideneacetamide.
What is the SMILES notation for 2-(2-methoxyanilino)-2-sulfanylideneacetamide?
The canonical SMILES for 2-(2-methoxyanilino)-2-sulfanylideneacetamide is COc1ccccc1NC(=S)C(N)=O.
What is the InChIKey of 2-(2-methoxyanilino)-2-sulfanylideneacetamide?
The InChIKey is BIZVFPNHJOPHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-13-7-5-3-2-4-6(7)11-9(14)8(10)12/h2-5H,1H3,(H2,10,12)(H,11,14).
What are the key properties of 2-(2-methoxyanilino)-2-sulfanylideneacetamide?
2-(2-methoxyanilino)-2-sulfanylideneacetamide has a molecular weight of 210.26 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-2-sulfanylideneacetamide is sourced from PubChem (CID 15526121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).