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

C17H17NO2S — CID 46233265

IUPAC6-(4-phenylmethoxyphenyl)thiomorpholin-3-one
SMILESO=C1CSC(c2ccc(OCc3ccccc3)cc2)CN1
InChIInChI=1S/C17H17NO2S/c19-17-12-21-16(10-18-17)14-6-8-15(9-7-14)20-11-13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H,18,19)
InChIKeyWREDZZPMENXHRK-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.17
Rot. Bonds4

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

6-(4-phenylmethoxyphenyl)thiomorpholin-3-one (PubChem CID 46233265) has the molecular formula C17H17NO2S and a molecular weight of 299.39 g/mol. Its IUPAC name is 6-(4-phenylmethoxyphenyl)thiomorpholin-3-one.

Molecular Properties

Compound Name6-(4-phenylmethoxyphenyl)thiomorpholin-3-one
PubChem CID46233265
Molecular FormulaC17H17NO2S
Molecular Weight299.39 g/mol
Exact Mass299.10
IUPAC Name6-(4-phenylmethoxyphenyl)thiomorpholin-3-one
SMILESO=C1CSC(c2ccc(OCc3ccccc3)cc2)CN1
InChIInChI=1S/C17H17NO2S/c19-17-12-21-16(10-18-17)14-6-8-15(9-7-14)20-11-13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H,18,19)
InChIKeyWREDZZPMENXHRK-UHFFFAOYSA-N
XLogP3.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylmethoxyphenyl)thiomorpholin-3-one?
The IUPAC name of 6-(4-phenylmethoxyphenyl)thiomorpholin-3-one (CID 46233265) is 6-(4-phenylmethoxyphenyl)thiomorpholin-3-one.
What is the SMILES notation for 6-(4-phenylmethoxyphenyl)thiomorpholin-3-one?
The canonical SMILES for 6-(4-phenylmethoxyphenyl)thiomorpholin-3-one is O=C1CSC(c2ccc(OCc3ccccc3)cc2)CN1.
What is the InChIKey of 6-(4-phenylmethoxyphenyl)thiomorpholin-3-one?
The InChIKey is WREDZZPMENXHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c19-17-12-21-16(10-18-17)14-6-8-15(9-7-14)20-11-13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H,18,19).
What are the key properties of 6-(4-phenylmethoxyphenyl)thiomorpholin-3-one?
6-(4-phenylmethoxyphenyl)thiomorpholin-3-one has a molecular weight of 299.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylmethoxyphenyl)thiomorpholin-3-one is sourced from PubChem (CID 46233265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).