3-(1-thiophen-2-ylethenyl)-1-azabicyclo[2.2.2]octane

C13H17NS — CID 58279934

IUPAC3-(1-thiophen-2-ylethenyl)-1-azabicyclo[2.2.2]octane
SMILESC=C(c1cccs1)C1CN2CCC1CC2
InChIInChI=1S/C13H17NS/c1-10(13-3-2-8-15-13)12-9-14-6-4-11(12)5-7-14/h2-3,8,11-12H,1,4-7,9H2
InChIKeyUYYKOACZFJCBOR-UHFFFAOYSA-N
MW219.35 g/mol
LogP3.10
Rot. Bonds2

About 3-(1-thiophen-2-ylethenyl)-1-azabicyclo[2.2.2]octane

3-(1-thiophen-2-ylethenyl)-1-azabicyclo[2.2.2]octane (PubChem CID 58279934) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is 3-(1-thiophen-2-ylethenyl)-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-(1-thiophen-2-ylethenyl)-1-azabicyclo[2.2.2]octane
PubChem CID58279934
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Name3-(1-thiophen-2-ylethenyl)-1-azabicyclo[2.2.2]octane
SMILESC=C(c1cccs1)C1CN2CCC1CC2
InChIInChI=1S/C13H17NS/c1-10(13-3-2-8-15-13)12-9-14-6-4-11(12)5-7-14/h2-3,8,11-12H,1,4-7,9H2
InChIKeyUYYKOACZFJCBOR-UHFFFAOYSA-N
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(1-thiophen-2-ylethenyl)-1-azabicyclo[2.2.2]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-thiophen-2-ylphenyl)-1-azabicyclo[2.2.2]octane-3-carboxamide;hydrochloride
CID 10236954
N-(dithiophen-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43763538
ethene;2-(1-thiophen-2-ylethenyl)thiophene
CID 174797517
1-azabicyclo[3.2.2]nonan-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone
CID 142863223
[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-pyridin-4-ylmethanone
CID 99934532
2-buta-1,3-dien-2-ylthiophene
CID 58963888
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-thiophen-2-ylethanone
CID 43228957
thiophen-2-yl N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate
CID 69351700
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-N-[2-(methanesulfonamido)phenyl]thiophene-2-carboxamide
CID 70131199
1-azabicyclo[2.2.2]octan-3-yl-bis(2-methylphenyl)methanol;hydrochloride
CID 50853316
4-(1-thiophen-2-ylethenyl)morpholine
CID 11074319
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-hydroxy-2,2-dithiophen-2-ylacetamide
CID 11725334

Frequently Asked Questions

What is the IUPAC name of 3-(1-thiophen-2-ylethenyl)-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3-(1-thiophen-2-ylethenyl)-1-azabicyclo[2.2.2]octane (CID 58279934) is 3-(1-thiophen-2-ylethenyl)-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-(1-thiophen-2-ylethenyl)-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-(1-thiophen-2-ylethenyl)-1-azabicyclo[2.2.2]octane is C=C(c1cccs1)C1CN2CCC1CC2.
What is the InChIKey of 3-(1-thiophen-2-ylethenyl)-1-azabicyclo[2.2.2]octane?
The InChIKey is UYYKOACZFJCBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c1-10(13-3-2-8-15-13)12-9-14-6-4-11(12)5-7-14/h2-3,8,11-12H,1,4-7,9H2.
What are the key properties of 3-(1-thiophen-2-ylethenyl)-1-azabicyclo[2.2.2]octane?
3-(1-thiophen-2-ylethenyl)-1-azabicyclo[2.2.2]octane has a molecular weight of 219.35 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-thiophen-2-ylethenyl)-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 58279934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).