2-(3-formylphenyl)sulfanyl-N-methylacetamide

C10H11NO2S — CID 66356193

IUPAC2-(3-formylphenyl)sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1cccc(C=O)c1
InChIInChI=1S/C10H11NO2S/c1-11-10(13)7-14-9-4-2-3-8(5-9)6-12/h2-6H,7H2,1H3,(H,11,13)
InChIKeySWKCUQXCYCOSDJ-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.34
Rot. Bonds4

About 2-(3-formylphenyl)sulfanyl-N-methylacetamide

2-(3-formylphenyl)sulfanyl-N-methylacetamide (PubChem CID 66356193) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-(3-formylphenyl)sulfanyl-N-methylacetamide.

Molecular Properties

Compound Name2-(3-formylphenyl)sulfanyl-N-methylacetamide
PubChem CID66356193
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name2-(3-formylphenyl)sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1cccc(C=O)c1
InChIInChI=1S/C10H11NO2S/c1-11-10(13)7-14-9-4-2-3-8(5-9)6-12/h2-6H,7H2,1H3,(H,11,13)
InChIKeySWKCUQXCYCOSDJ-UHFFFAOYSA-N
XLogP1.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-formylphenyl)sulfanyl-N-methylacetamide?
The IUPAC name of 2-(3-formylphenyl)sulfanyl-N-methylacetamide (CID 66356193) is 2-(3-formylphenyl)sulfanyl-N-methylacetamide.
What is the SMILES notation for 2-(3-formylphenyl)sulfanyl-N-methylacetamide?
The canonical SMILES for 2-(3-formylphenyl)sulfanyl-N-methylacetamide is CNC(=O)CSc1cccc(C=O)c1.
What is the InChIKey of 2-(3-formylphenyl)sulfanyl-N-methylacetamide?
The InChIKey is SWKCUQXCYCOSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-11-10(13)7-14-9-4-2-3-8(5-9)6-12/h2-6H,7H2,1H3,(H,11,13).
What are the key properties of 2-(3-formylphenyl)sulfanyl-N-methylacetamide?
2-(3-formylphenyl)sulfanyl-N-methylacetamide has a molecular weight of 209.27 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formylphenyl)sulfanyl-N-methylacetamide is sourced from PubChem (CID 66356193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).