1-[3-(5-methylfuran-2-yl)thiomorpholin-4-yl]ethanone

C11H15NO2S — CID 84584880

IUPAC1-[3-(5-methylfuran-2-yl)thiomorpholin-4-yl]ethanone
SMILESCC(=O)N1CCSCC1c1ccc(C)o1
InChIInChI=1S/C11H15NO2S/c1-8-3-4-11(14-8)10-7-15-6-5-12(10)9(2)13/h3-4,10H,5-7H2,1-2H3
InChIKeyBALWWRCKNQPXDG-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.22
Rot. Bonds1

About 1-[3-(5-methylfuran-2-yl)thiomorpholin-4-yl]ethanone

1-[3-(5-methylfuran-2-yl)thiomorpholin-4-yl]ethanone (PubChem CID 84584880) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-[3-(5-methylfuran-2-yl)thiomorpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-(5-methylfuran-2-yl)thiomorpholin-4-yl]ethanone
PubChem CID84584880
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name1-[3-(5-methylfuran-2-yl)thiomorpholin-4-yl]ethanone
SMILESCC(=O)N1CCSCC1c1ccc(C)o1
InChIInChI=1S/C11H15NO2S/c1-8-3-4-11(14-8)10-7-15-6-5-12(10)9(2)13/h3-4,10H,5-7H2,1-2H3
InChIKeyBALWWRCKNQPXDG-UHFFFAOYSA-N
XLogP2.22
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methylfuran-2-yl)thiomorpholin-4-yl]ethanone?
The IUPAC name of 1-[3-(5-methylfuran-2-yl)thiomorpholin-4-yl]ethanone (CID 84584880) is 1-[3-(5-methylfuran-2-yl)thiomorpholin-4-yl]ethanone.
What is the SMILES notation for 1-[3-(5-methylfuran-2-yl)thiomorpholin-4-yl]ethanone?
The canonical SMILES for 1-[3-(5-methylfuran-2-yl)thiomorpholin-4-yl]ethanone is CC(=O)N1CCSCC1c1ccc(C)o1.
What is the InChIKey of 1-[3-(5-methylfuran-2-yl)thiomorpholin-4-yl]ethanone?
The InChIKey is BALWWRCKNQPXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-8-3-4-11(14-8)10-7-15-6-5-12(10)9(2)13/h3-4,10H,5-7H2,1-2H3.
What are the key properties of 1-[3-(5-methylfuran-2-yl)thiomorpholin-4-yl]ethanone?
1-[3-(5-methylfuran-2-yl)thiomorpholin-4-yl]ethanone has a molecular weight of 225.31 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methylfuran-2-yl)thiomorpholin-4-yl]ethanone is sourced from PubChem (CID 84584880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).