3-(2-thiophen-2-ylethoxy)azetidine;dihydrochloride

C9H15Cl2NOS — CID 67154553

IUPAC3-(2-thiophen-2-ylethoxy)azetidine;dihydrochloride
SMILESCl.Cl.c1csc(CCOC2CNC2)c1
InChIInChI=1S/C9H13NOS.2ClH/c1-2-9(12-5-1)3-4-11-8-6-10-7-8;;/h1-2,5,8,10H,3-4,6-7H2;2*1H
InChIKeyQNLWGJRACMYSJT-UHFFFAOYSA-N
MW256.20 g/mol
LogP2.12
Rot. Bonds4

About 3-(2-thiophen-2-ylethoxy)azetidine;dihydrochloride

3-(2-thiophen-2-ylethoxy)azetidine;dihydrochloride (PubChem CID 67154553) has the molecular formula C9H15Cl2NOS and a molecular weight of 256.20 g/mol. Its IUPAC name is 3-(2-thiophen-2-ylethoxy)azetidine;dihydrochloride.

Molecular Properties

Compound Name3-(2-thiophen-2-ylethoxy)azetidine;dihydrochloride
PubChem CID67154553
Molecular FormulaC9H15Cl2NOS
Molecular Weight256.20 g/mol
Exact Mass255.03
IUPAC Name3-(2-thiophen-2-ylethoxy)azetidine;dihydrochloride
SMILESCl.Cl.c1csc(CCOC2CNC2)c1
InChIInChI=1S/C9H13NOS.2ClH/c1-2-9(12-5-1)3-4-11-8-6-10-7-8;;/h1-2,5,8,10H,3-4,6-7H2;2*1H
InChIKeyQNLWGJRACMYSJT-UHFFFAOYSA-N
XLogP2.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-thiophen-2-ylethoxy)pyrrolidine
CID 62327416
3-(thiophen-2-ylmethyl)azetidine;hydrochloride
CID 134691076
2-[2-(4-iodophenoxy)ethyl]thiophene
CID 63775309
2-thiophen-2-ylethoxysilane
CID 154346669
N-(azetidin-3-ylmethyl)-2-thiophen-2-ylethanamine
CID 115207735
2-(5-chloropentyl)thiophene
CID 4912993
N-cyclopropyl-N-(thiophen-2-ylmethyl)azetidin-3-amine
CID 62784619
2-[2-(2-fluorophenoxy)ethyl]thiophene
CID 64764713
(2R)-2-(2-thiophen-2-ylethoxymethyl)pyrrolidine
CID 102820127
5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60972638
2-(8-methoxyoctyl)thiophene
CID 139537837
2-thiophen-2-ylethyl sulfite
CID 175017733

Frequently Asked Questions

What is the IUPAC name of 3-(2-thiophen-2-ylethoxy)azetidine;dihydrochloride?
The IUPAC name of 3-(2-thiophen-2-ylethoxy)azetidine;dihydrochloride (CID 67154553) is 3-(2-thiophen-2-ylethoxy)azetidine;dihydrochloride.
What is the SMILES notation for 3-(2-thiophen-2-ylethoxy)azetidine;dihydrochloride?
The canonical SMILES for 3-(2-thiophen-2-ylethoxy)azetidine;dihydrochloride is Cl.Cl.c1csc(CCOC2CNC2)c1.
What is the InChIKey of 3-(2-thiophen-2-ylethoxy)azetidine;dihydrochloride?
The InChIKey is QNLWGJRACMYSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS.2ClH/c1-2-9(12-5-1)3-4-11-8-6-10-7-8;;/h1-2,5,8,10H,3-4,6-7H2;2*1H.
What are the key properties of 3-(2-thiophen-2-ylethoxy)azetidine;dihydrochloride?
3-(2-thiophen-2-ylethoxy)azetidine;dihydrochloride has a molecular weight of 256.20 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiophen-2-ylethoxy)azetidine;dihydrochloride is sourced from PubChem (CID 67154553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).