3-(thiophen-2-ylmethyl)azetidine;hydrochloride

C8H12ClNS — CID 134691076

IUPAC3-(thiophen-2-ylmethyl)azetidine;hydrochloride
SMILESCl.c1csc(CC2CNC2)c1
InChIInChI=1S/C8H11NS.ClH/c1-2-8(10-3-1)4-7-5-9-6-7;/h1-3,7,9H,4-6H2;1H
InChIKeyADQZOAPXORYPTF-UHFFFAOYSA-N
MW189.71 g/mol
LogP1.93
Rot. Bonds2

About 3-(thiophen-2-ylmethyl)azetidine;hydrochloride

3-(thiophen-2-ylmethyl)azetidine;hydrochloride (PubChem CID 134691076) has the molecular formula C8H12ClNS and a molecular weight of 189.71 g/mol. Its IUPAC name is 3-(thiophen-2-ylmethyl)azetidine;hydrochloride.

Molecular Properties

Compound Name3-(thiophen-2-ylmethyl)azetidine;hydrochloride
PubChem CID134691076
Molecular FormulaC8H12ClNS
Molecular Weight189.71 g/mol
Exact Mass189.04
IUPAC Name3-(thiophen-2-ylmethyl)azetidine;hydrochloride
SMILESCl.c1csc(CC2CNC2)c1
InChIInChI=1S/C8H11NS.ClH/c1-2-8(10-3-1)4-7-5-9-6-7;/h1-3,7,9H,4-6H2;1H
InChIKeyADQZOAPXORYPTF-UHFFFAOYSA-N
XLogP1.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.71
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azetidin-3-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 116679496
N-(azetidin-3-ylmethyl)-2-thiophen-2-ylethanamine
CID 115207735
3-(2-thiophen-2-ylethoxy)azetidine;dihydrochloride
CID 67154553
2-[(4,4-dimethylcyclohexyl)methyl]thiophene
CID 141443372
2-(thiiran-2-ylmethyl)thiophene
CID 174452865
5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60972638
4-methylbenzenesulfonic acid;3-(thiophen-2-ylmethyl)pyrrolidine
CID 57373093
N-cyclopropyl-N-(thiophen-2-ylmethyl)azetidin-3-amine
CID 62784619
N-methyl-3-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 64505657
3-benzylazetidine;hydrochloride
CID 54592835
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 120660237
1-methyl-5-(thiophen-2-ylmethyl)piperidin-3-amine
CID 83988958

Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-2-ylmethyl)azetidine;hydrochloride?
The IUPAC name of 3-(thiophen-2-ylmethyl)azetidine;hydrochloride (CID 134691076) is 3-(thiophen-2-ylmethyl)azetidine;hydrochloride.
What is the SMILES notation for 3-(thiophen-2-ylmethyl)azetidine;hydrochloride?
The canonical SMILES for 3-(thiophen-2-ylmethyl)azetidine;hydrochloride is Cl.c1csc(CC2CNC2)c1.
What is the InChIKey of 3-(thiophen-2-ylmethyl)azetidine;hydrochloride?
The InChIKey is ADQZOAPXORYPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS.ClH/c1-2-8(10-3-1)4-7-5-9-6-7;/h1-3,7,9H,4-6H2;1H.
What are the key properties of 3-(thiophen-2-ylmethyl)azetidine;hydrochloride?
3-(thiophen-2-ylmethyl)azetidine;hydrochloride has a molecular weight of 189.71 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-2-ylmethyl)azetidine;hydrochloride is sourced from PubChem (CID 134691076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).