4-[(4-ethoxyphenyl)methyl]thiomorpholine

C13H19NOS — CID 765559

IUPAC4-[(4-ethoxyphenyl)methyl]thiomorpholine
SMILESCCOc1ccc(CN2CCSCC2)cc1
InChIInChI=1S/C13H19NOS/c1-2-15-13-5-3-12(4-6-13)11-14-7-9-16-10-8-14/h3-6H,2,7-11H2,1H3
InChIKeyUHMXYZFQJSPLTM-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.63
Rot. Bonds4

About 4-[(4-ethoxyphenyl)methyl]thiomorpholine

4-[(4-ethoxyphenyl)methyl]thiomorpholine (PubChem CID 765559) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)methyl]thiomorpholine
PubChem CID765559
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name4-[(4-ethoxyphenyl)methyl]thiomorpholine
SMILESCCOc1ccc(CN2CCSCC2)cc1
InChIInChI=1S/C13H19NOS/c1-2-15-13-5-3-12(4-6-13)11-14-7-9-16-10-8-14/h3-6H,2,7-11H2,1H3
InChIKeyUHMXYZFQJSPLTM-UHFFFAOYSA-N
XLogP2.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)methyl]thiomorpholine?
The IUPAC name of 4-[(4-ethoxyphenyl)methyl]thiomorpholine (CID 765559) is 4-[(4-ethoxyphenyl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(4-ethoxyphenyl)methyl]thiomorpholine?
The canonical SMILES for 4-[(4-ethoxyphenyl)methyl]thiomorpholine is CCOc1ccc(CN2CCSCC2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)methyl]thiomorpholine?
The InChIKey is UHMXYZFQJSPLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-2-15-13-5-3-12(4-6-13)11-14-7-9-16-10-8-14/h3-6H,2,7-11H2,1H3.
What are the key properties of 4-[(4-ethoxyphenyl)methyl]thiomorpholine?
4-[(4-ethoxyphenyl)methyl]thiomorpholine has a molecular weight of 237.37 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)methyl]thiomorpholine is sourced from PubChem (CID 765559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).