3-[(3-methyl-1-benzothiophen-5-yl)oxy]azetidine

C12H13NOS — CID 84684926

IUPAC3-[(3-methyl-1-benzothiophen-5-yl)oxy]azetidine
SMILESCc1csc2ccc(OC3CNC3)cc12
InChIInChI=1S/C12H13NOS/c1-8-7-15-12-3-2-9(4-11(8)12)14-10-5-13-6-10/h2-4,7,10,13H,5-6H2,1H3
InChIKeyMUYZRHDIQQSZOV-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.56
Rot. Bonds2

About 3-[(3-methyl-1-benzothiophen-5-yl)oxy]azetidine

3-[(3-methyl-1-benzothiophen-5-yl)oxy]azetidine (PubChem CID 84684926) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 3-[(3-methyl-1-benzothiophen-5-yl)oxy]azetidine.

Molecular Properties

Compound Name3-[(3-methyl-1-benzothiophen-5-yl)oxy]azetidine
PubChem CID84684926
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name3-[(3-methyl-1-benzothiophen-5-yl)oxy]azetidine
SMILESCc1csc2ccc(OC3CNC3)cc12
InChIInChI=1S/C12H13NOS/c1-8-7-15-12-3-2-9(4-11(8)12)14-10-5-13-6-10/h2-4,7,10,13H,5-6H2,1H3
InChIKeyMUYZRHDIQQSZOV-UHFFFAOYSA-N
XLogP2.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-1-benzothiophen-5-yl)oxy]azetidine?
The IUPAC name of 3-[(3-methyl-1-benzothiophen-5-yl)oxy]azetidine (CID 84684926) is 3-[(3-methyl-1-benzothiophen-5-yl)oxy]azetidine.
What is the SMILES notation for 3-[(3-methyl-1-benzothiophen-5-yl)oxy]azetidine?
The canonical SMILES for 3-[(3-methyl-1-benzothiophen-5-yl)oxy]azetidine is Cc1csc2ccc(OC3CNC3)cc12.
What is the InChIKey of 3-[(3-methyl-1-benzothiophen-5-yl)oxy]azetidine?
The InChIKey is MUYZRHDIQQSZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-8-7-15-12-3-2-9(4-11(8)12)14-10-5-13-6-10/h2-4,7,10,13H,5-6H2,1H3.
What are the key properties of 3-[(3-methyl-1-benzothiophen-5-yl)oxy]azetidine?
3-[(3-methyl-1-benzothiophen-5-yl)oxy]azetidine has a molecular weight of 219.31 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-1-benzothiophen-5-yl)oxy]azetidine is sourced from PubChem (CID 84684926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).