3-[(5-ethylthiophen-2-yl)methoxy]-3-methylazetidine

C11H17NOS — CID 83065911

IUPAC3-[(5-ethylthiophen-2-yl)methoxy]-3-methylazetidine
SMILESCCc1ccc(COC2(C)CNC2)s1
InChIInChI=1S/C11H17NOS/c1-3-9-4-5-10(14-9)6-13-11(2)7-12-8-11/h4-5,12H,3,6-8H2,1-2H3
InChIKeyDSDSISUWRYOSCG-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.19
Rot. Bonds4

About 3-[(5-ethylthiophen-2-yl)methoxy]-3-methylazetidine

3-[(5-ethylthiophen-2-yl)methoxy]-3-methylazetidine (PubChem CID 83065911) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 3-[(5-ethylthiophen-2-yl)methoxy]-3-methylazetidine.

Molecular Properties

Compound Name3-[(5-ethylthiophen-2-yl)methoxy]-3-methylazetidine
PubChem CID83065911
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name3-[(5-ethylthiophen-2-yl)methoxy]-3-methylazetidine
SMILESCCc1ccc(COC2(C)CNC2)s1
InChIInChI=1S/C11H17NOS/c1-3-9-4-5-10(14-9)6-13-11(2)7-12-8-11/h4-5,12H,3,6-8H2,1-2H3
InChIKeyDSDSISUWRYOSCG-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethylthiophen-2-yl)methoxy]-3-methylazetidine?
The IUPAC name of 3-[(5-ethylthiophen-2-yl)methoxy]-3-methylazetidine (CID 83065911) is 3-[(5-ethylthiophen-2-yl)methoxy]-3-methylazetidine.
What is the SMILES notation for 3-[(5-ethylthiophen-2-yl)methoxy]-3-methylazetidine?
The canonical SMILES for 3-[(5-ethylthiophen-2-yl)methoxy]-3-methylazetidine is CCc1ccc(COC2(C)CNC2)s1.
What is the InChIKey of 3-[(5-ethylthiophen-2-yl)methoxy]-3-methylazetidine?
The InChIKey is DSDSISUWRYOSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-3-9-4-5-10(14-9)6-13-11(2)7-12-8-11/h4-5,12H,3,6-8H2,1-2H3.
What are the key properties of 3-[(5-ethylthiophen-2-yl)methoxy]-3-methylazetidine?
3-[(5-ethylthiophen-2-yl)methoxy]-3-methylazetidine has a molecular weight of 211.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethylthiophen-2-yl)methoxy]-3-methylazetidine is sourced from PubChem (CID 83065911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).