4-ethyl-2-(5-methylthiophen-2-yl)morpholine

C11H17NOS — CID 174485683

IUPAC4-ethyl-2-(5-methylthiophen-2-yl)morpholine
SMILESCCN1CCOC(c2ccc(C)s2)C1
InChIInChI=1S/C11H17NOS/c1-3-12-6-7-13-10(8-12)11-5-4-9(2)14-11/h4-5,10H,3,6-8H2,1-2H3
InChIKeyAXIZIHJGKQOPTQ-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.45
Rot. Bonds2

About 4-ethyl-2-(5-methylthiophen-2-yl)morpholine

4-ethyl-2-(5-methylthiophen-2-yl)morpholine (PubChem CID 174485683) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 4-ethyl-2-(5-methylthiophen-2-yl)morpholine.

Molecular Properties

Compound Name4-ethyl-2-(5-methylthiophen-2-yl)morpholine
PubChem CID174485683
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name4-ethyl-2-(5-methylthiophen-2-yl)morpholine
SMILESCCN1CCOC(c2ccc(C)s2)C1
InChIInChI=1S/C11H17NOS/c1-3-12-6-7-13-10(8-12)11-5-4-9(2)14-11/h4-5,10H,3,6-8H2,1-2H3
InChIKeyAXIZIHJGKQOPTQ-UHFFFAOYSA-N
XLogP2.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(5-methylthiophen-2-yl)morpholine?
The IUPAC name of 4-ethyl-2-(5-methylthiophen-2-yl)morpholine (CID 174485683) is 4-ethyl-2-(5-methylthiophen-2-yl)morpholine.
What is the SMILES notation for 4-ethyl-2-(5-methylthiophen-2-yl)morpholine?
The canonical SMILES for 4-ethyl-2-(5-methylthiophen-2-yl)morpholine is CCN1CCOC(c2ccc(C)s2)C1.
What is the InChIKey of 4-ethyl-2-(5-methylthiophen-2-yl)morpholine?
The InChIKey is AXIZIHJGKQOPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-3-12-6-7-13-10(8-12)11-5-4-9(2)14-11/h4-5,10H,3,6-8H2,1-2H3.
What are the key properties of 4-ethyl-2-(5-methylthiophen-2-yl)morpholine?
4-ethyl-2-(5-methylthiophen-2-yl)morpholine has a molecular weight of 211.33 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(5-methylthiophen-2-yl)morpholine is sourced from PubChem (CID 174485683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).