2-(3,4-dihydro-2H-chromen-4-ylsulfinyl)acetamide

C11H13NO3S — CID 11514233

IUPAC2-(3,4-dihydro-2H-chromen-4-ylsulfinyl)acetamide
SMILESNC(=O)CS(=O)C1CCOc2ccccc21
InChIInChI=1S/C11H13NO3S/c12-11(13)7-16(14)10-5-6-15-9-4-2-1-3-8(9)10/h1-4,10H,5-7H2,(H2,12,13)
InChIKeyMXJUAQWADHWQSA-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.74
Rot. Bonds3

About 2-(3,4-dihydro-2H-chromen-4-ylsulfinyl)acetamide

2-(3,4-dihydro-2H-chromen-4-ylsulfinyl)acetamide (PubChem CID 11514233) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-ylsulfinyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-ylsulfinyl)acetamide
PubChem CID11514233
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name2-(3,4-dihydro-2H-chromen-4-ylsulfinyl)acetamide
SMILESNC(=O)CS(=O)C1CCOc2ccccc21
InChIInChI=1S/C11H13NO3S/c12-11(13)7-16(14)10-5-6-15-9-4-2-1-3-8(9)10/h1-4,10H,5-7H2,(H2,12,13)
InChIKeyMXJUAQWADHWQSA-UHFFFAOYSA-N
XLogP0.74
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylsulfinyl)acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylsulfinyl)acetamide (CID 11514233) is 2-(3,4-dihydro-2H-chromen-4-ylsulfinyl)acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-ylsulfinyl)acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-ylsulfinyl)acetamide is NC(=O)CS(=O)C1CCOc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-ylsulfinyl)acetamide?
The InChIKey is MXJUAQWADHWQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c12-11(13)7-16(14)10-5-6-15-9-4-2-1-3-8(9)10/h1-4,10H,5-7H2,(H2,12,13).
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-ylsulfinyl)acetamide?
2-(3,4-dihydro-2H-chromen-4-ylsulfinyl)acetamide has a molecular weight of 239.30 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-ylsulfinyl)acetamide is sourced from PubChem (CID 11514233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).