3-(2-thiophen-3-ylethyl)azetidine

C9H13NS — CID 79451396

IUPAC3-(2-thiophen-3-ylethyl)azetidine
SMILESc1cc(CCC2CNC2)cs1
InChIInChI=1S/C9H13NS/c1(2-9-5-10-6-9)8-3-4-11-7-8/h3-4,7,9-10H,1-2,5-6H2
InChIKeyYBWRXQJGEDKAHB-UHFFFAOYSA-N
MW167.28 g/mol
LogP1.90
Rot. Bonds3

About 3-(2-thiophen-3-ylethyl)azetidine

3-(2-thiophen-3-ylethyl)azetidine (PubChem CID 79451396) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 3-(2-thiophen-3-ylethyl)azetidine.

Molecular Properties

Compound Name3-(2-thiophen-3-ylethyl)azetidine
PubChem CID79451396
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name3-(2-thiophen-3-ylethyl)azetidine
SMILESc1cc(CCC2CNC2)cs1
InChIInChI=1S/C9H13NS/c1(2-9-5-10-6-9)8-3-4-11-7-8/h3-4,7,9-10H,1-2,5-6H2
InChIKeyYBWRXQJGEDKAHB-UHFFFAOYSA-N
XLogP1.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-thiophen-3-ylethyl)azepane
CID 104680659
3-(2-cyclopropylethyl)thiophene
CID 159324839
3-(2-thiophen-3-ylethyl)cyclopentan-1-amine
CID 64504109
3-(thiophen-3-ylmethyl)pyrrolidine
CID 83682618
1-(azetidin-3-yl)-3-thiophen-3-ylpropan-2-one
CID 116582371
2-(2-thiophen-3-ylethyl)-1,3-dioxolane
CID 71386496
N-(2-piperidin-3-ylethyl)-3-thiophen-3-ylpropanamide;hydrochloride
CID 119555094
N-ethyl-3-(2-thiophen-3-ylethyl)cyclopentan-1-amine
CID 64504261
N-methyl-N-(piperidin-3-ylmethyl)-2-thiophen-3-ylethanamine
CID 106636462
1-(azetidin-3-yl)-2-thiophen-3-ylethanone
CID 116583807
2-methyl-3-(2-thiophen-3-ylethyl)oxirane
CID 83927729
1-(4-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one
CID 116572594

Frequently Asked Questions

What is the IUPAC name of 3-(2-thiophen-3-ylethyl)azetidine?
The IUPAC name of 3-(2-thiophen-3-ylethyl)azetidine (CID 79451396) is 3-(2-thiophen-3-ylethyl)azetidine.
What is the SMILES notation for 3-(2-thiophen-3-ylethyl)azetidine?
The canonical SMILES for 3-(2-thiophen-3-ylethyl)azetidine is c1cc(CCC2CNC2)cs1.
What is the InChIKey of 3-(2-thiophen-3-ylethyl)azetidine?
The InChIKey is YBWRXQJGEDKAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1(2-9-5-10-6-9)8-3-4-11-7-8/h3-4,7,9-10H,1-2,5-6H2.
What are the key properties of 3-(2-thiophen-3-ylethyl)azetidine?
3-(2-thiophen-3-ylethyl)azetidine has a molecular weight of 167.28 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiophen-3-ylethyl)azetidine is sourced from PubChem (CID 79451396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).