3-(4-ethoxyphenyl)thiomorpholine

C12H17NOS — CID 54164455

IUPAC3-(4-ethoxyphenyl)thiomorpholine
SMILESCCOc1ccc(C2CSCCN2)cc1
InChIInChI=1S/C12H17NOS/c1-2-14-11-5-3-10(4-6-11)12-9-15-8-7-13-12/h3-6,12-13H,2,7-9H2,1H3
InChIKeyYNHOBAYYIHPDNI-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.46
Rot. Bonds3

About 3-(4-ethoxyphenyl)thiomorpholine

3-(4-ethoxyphenyl)thiomorpholine (PubChem CID 54164455) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)thiomorpholine.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)thiomorpholine
PubChem CID54164455
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name3-(4-ethoxyphenyl)thiomorpholine
SMILESCCOc1ccc(C2CSCCN2)cc1
InChIInChI=1S/C12H17NOS/c1-2-14-11-5-3-10(4-6-11)12-9-15-8-7-13-12/h3-6,12-13H,2,7-9H2,1H3
InChIKeyYNHOBAYYIHPDNI-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)thiomorpholine?
The IUPAC name of 3-(4-ethoxyphenyl)thiomorpholine (CID 54164455) is 3-(4-ethoxyphenyl)thiomorpholine.
What is the SMILES notation for 3-(4-ethoxyphenyl)thiomorpholine?
The canonical SMILES for 3-(4-ethoxyphenyl)thiomorpholine is CCOc1ccc(C2CSCCN2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)thiomorpholine?
The InChIKey is YNHOBAYYIHPDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-2-14-11-5-3-10(4-6-11)12-9-15-8-7-13-12/h3-6,12-13H,2,7-9H2,1H3.
What are the key properties of 3-(4-ethoxyphenyl)thiomorpholine?
3-(4-ethoxyphenyl)thiomorpholine has a molecular weight of 223.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)thiomorpholine is sourced from PubChem (CID 54164455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).