6-(4-ethoxyphenyl)thiomorpholin-3-one

C12H15NO2S — CID 46233198

IUPAC6-(4-ethoxyphenyl)thiomorpholin-3-one
SMILESCCOc1ccc(C2CNC(=O)CS2)cc1
InChIInChI=1S/C12H15NO2S/c1-2-15-10-5-3-9(4-6-10)11-7-13-12(14)8-16-11/h3-6,11H,2,7-8H2,1H3,(H,13,14)
InChIKeyCBRYZPDPVZGCMA-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.99
Rot. Bonds3

About 6-(4-ethoxyphenyl)thiomorpholin-3-one

6-(4-ethoxyphenyl)thiomorpholin-3-one (PubChem CID 46233198) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)thiomorpholin-3-one.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)thiomorpholin-3-one
PubChem CID46233198
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name6-(4-ethoxyphenyl)thiomorpholin-3-one
SMILESCCOc1ccc(C2CNC(=O)CS2)cc1
InChIInChI=1S/C12H15NO2S/c1-2-15-10-5-3-9(4-6-10)11-7-13-12(14)8-16-11/h3-6,11H,2,7-8H2,1H3,(H,13,14)
InChIKeyCBRYZPDPVZGCMA-UHFFFAOYSA-N
XLogP1.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)thiomorpholin-3-one?
The IUPAC name of 6-(4-ethoxyphenyl)thiomorpholin-3-one (CID 46233198) is 6-(4-ethoxyphenyl)thiomorpholin-3-one.
What is the SMILES notation for 6-(4-ethoxyphenyl)thiomorpholin-3-one?
The canonical SMILES for 6-(4-ethoxyphenyl)thiomorpholin-3-one is CCOc1ccc(C2CNC(=O)CS2)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)thiomorpholin-3-one?
The InChIKey is CBRYZPDPVZGCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-2-15-10-5-3-9(4-6-10)11-7-13-12(14)8-16-11/h3-6,11H,2,7-8H2,1H3,(H,13,14).
What are the key properties of 6-(4-ethoxyphenyl)thiomorpholin-3-one?
6-(4-ethoxyphenyl)thiomorpholin-3-one has a molecular weight of 237.32 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)thiomorpholin-3-one is sourced from PubChem (CID 46233198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).