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

C12H19NS — CID 79452456

IUPAC3-propyl-3-(2-thiophen-2-ylethyl)azetidine
SMILESCCCC1(CCc2cccs2)CNC1
InChIInChI=1S/C12H19NS/c1-2-6-12(9-13-10-12)7-5-11-4-3-8-14-11/h3-4,8,13H,2,5-7,9-10H2,1H3
InChIKeyAGLISSYCCBLEQG-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.07
Rot. Bonds5

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

3-propyl-3-(2-thiophen-2-ylethyl)azetidine (PubChem CID 79452456) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 3-propyl-3-(2-thiophen-2-ylethyl)azetidine.

Molecular Properties

Compound Name3-propyl-3-(2-thiophen-2-ylethyl)azetidine
PubChem CID79452456
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name3-propyl-3-(2-thiophen-2-ylethyl)azetidine
SMILESCCCC1(CCc2cccs2)CNC1
InChIInChI=1S/C12H19NS/c1-2-6-12(9-13-10-12)7-5-11-4-3-8-14-11/h3-4,8,13H,2,5-7,9-10H2,1H3
InChIKeyAGLISSYCCBLEQG-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propyl-2-(2-thiophen-2-ylethyl)pyrrolidine
CID 66467169
2,2-dimethyl-1-(2-thiophen-2-ylethyl)piperazine
CID 63774564
N-[(1-propylcyclobutyl)methyl]-1-thiophen-2-ylmethanamine
CID 115694272
ethane;2-pentylthiophene
CID 143883800
2-butylthiophene;methanamine
CID 143080300
3-(bromomethyl)-3-(2-thiophen-2-ylethyl)oxolane
CID 66048547
[4-butyl-1-(2-thiophen-2-ylethyl)cyclohexyl]methanamine
CID 63773916
N-[[4-(2-thiophen-2-ylethyl)oxan-4-yl]methyl]propan-2-amine
CID 63774106
2-methoxy-N-[[1-(2-thiophen-2-ylethyl)cyclopropyl]methyl]ethanamine
CID 66026043
2-ethyl-2-(2-thiophen-2-ylethyl)pyrrolidine
CID 66467603
methane;2-undecylthiophene
CID 175504380
1-(2,2-dimethylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 115273147

Frequently Asked Questions

What is the IUPAC name of 3-propyl-3-(2-thiophen-2-ylethyl)azetidine?
The IUPAC name of 3-propyl-3-(2-thiophen-2-ylethyl)azetidine (CID 79452456) is 3-propyl-3-(2-thiophen-2-ylethyl)azetidine.
What is the SMILES notation for 3-propyl-3-(2-thiophen-2-ylethyl)azetidine?
The canonical SMILES for 3-propyl-3-(2-thiophen-2-ylethyl)azetidine is CCCC1(CCc2cccs2)CNC1.
What is the InChIKey of 3-propyl-3-(2-thiophen-2-ylethyl)azetidine?
The InChIKey is AGLISSYCCBLEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-2-6-12(9-13-10-12)7-5-11-4-3-8-14-11/h3-4,8,13H,2,5-7,9-10H2,1H3.
What are the key properties of 3-propyl-3-(2-thiophen-2-ylethyl)azetidine?
3-propyl-3-(2-thiophen-2-ylethyl)azetidine has a molecular weight of 209.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-3-(2-thiophen-2-ylethyl)azetidine is sourced from PubChem (CID 79452456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).