3-(1-benzothiophen-7-yloxy)azetidine

C11H11NOS — CID 84673442

IUPAC3-(1-benzothiophen-7-yloxy)azetidine
SMILESc1cc(OC2CNC2)c2sccc2c1
InChIInChI=1S/C11H11NOS/c1-2-8-4-5-14-11(8)10(3-1)13-9-6-12-7-9/h1-5,9,12H,6-7H2
InChIKeyAAPBJMMNKQMIOU-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.25
Rot. Bonds2

About 3-(1-benzothiophen-7-yloxy)azetidine

3-(1-benzothiophen-7-yloxy)azetidine (PubChem CID 84673442) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 3-(1-benzothiophen-7-yloxy)azetidine.

Molecular Properties

Compound Name3-(1-benzothiophen-7-yloxy)azetidine
PubChem CID84673442
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name3-(1-benzothiophen-7-yloxy)azetidine
SMILESc1cc(OC2CNC2)c2sccc2c1
InChIInChI=1S/C11H11NOS/c1-2-8-4-5-14-11(8)10(3-1)13-9-6-12-7-9/h1-5,9,12H,6-7H2
InChIKeyAAPBJMMNKQMIOU-UHFFFAOYSA-N
XLogP2.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-7-yloxy)azetidine?
The IUPAC name of 3-(1-benzothiophen-7-yloxy)azetidine (CID 84673442) is 3-(1-benzothiophen-7-yloxy)azetidine.
What is the SMILES notation for 3-(1-benzothiophen-7-yloxy)azetidine?
The canonical SMILES for 3-(1-benzothiophen-7-yloxy)azetidine is c1cc(OC2CNC2)c2sccc2c1.
What is the InChIKey of 3-(1-benzothiophen-7-yloxy)azetidine?
The InChIKey is AAPBJMMNKQMIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-2-8-4-5-14-11(8)10(3-1)13-9-6-12-7-9/h1-5,9,12H,6-7H2.
What are the key properties of 3-(1-benzothiophen-7-yloxy)azetidine?
3-(1-benzothiophen-7-yloxy)azetidine has a molecular weight of 205.28 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-7-yloxy)azetidine is sourced from PubChem (CID 84673442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).