3-thiophen-3-yl-1-azabicyclo[2.2.2]octan-3-ol

C11H15NOS — CID 10104527

IUPAC3-thiophen-3-yl-1-azabicyclo[2.2.2]octan-3-ol
SMILESOC1(c2ccsc2)CN2CCC1CC2
InChIInChI=1S/C11H15NOS/c13-11(10-3-6-14-7-10)8-12-4-1-9(11)2-5-12/h3,6-7,9,13H,1-2,4-5,8H2
InChIKeyBPKMMXKNCOJMOQ-UHFFFAOYSA-N
MW209.31 g/mol
LogP1.66
Rot. Bonds1

About 3-thiophen-3-yl-1-azabicyclo[2.2.2]octan-3-ol

3-thiophen-3-yl-1-azabicyclo[2.2.2]octan-3-ol (PubChem CID 10104527) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 3-thiophen-3-yl-1-azabicyclo[2.2.2]octan-3-ol.

Molecular Properties

Compound Name3-thiophen-3-yl-1-azabicyclo[2.2.2]octan-3-ol
PubChem CID10104527
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name3-thiophen-3-yl-1-azabicyclo[2.2.2]octan-3-ol
SMILESOC1(c2ccsc2)CN2CCC1CC2
InChIInChI=1S/C11H15NOS/c13-11(10-3-6-14-7-10)8-12-4-1-9(11)2-5-12/h3,6-7,9,13H,1-2,4-5,8H2
InChIKeyBPKMMXKNCOJMOQ-UHFFFAOYSA-N
XLogP1.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-yl-1-azabicyclo[2.2.2]octan-3-ol?
The IUPAC name of 3-thiophen-3-yl-1-azabicyclo[2.2.2]octan-3-ol (CID 10104527) is 3-thiophen-3-yl-1-azabicyclo[2.2.2]octan-3-ol.
What is the SMILES notation for 3-thiophen-3-yl-1-azabicyclo[2.2.2]octan-3-ol?
The canonical SMILES for 3-thiophen-3-yl-1-azabicyclo[2.2.2]octan-3-ol is OC1(c2ccsc2)CN2CCC1CC2.
What is the InChIKey of 3-thiophen-3-yl-1-azabicyclo[2.2.2]octan-3-ol?
The InChIKey is BPKMMXKNCOJMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c13-11(10-3-6-14-7-10)8-12-4-1-9(11)2-5-12/h3,6-7,9,13H,1-2,4-5,8H2.
What are the key properties of 3-thiophen-3-yl-1-azabicyclo[2.2.2]octan-3-ol?
3-thiophen-3-yl-1-azabicyclo[2.2.2]octan-3-ol has a molecular weight of 209.31 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-yl-1-azabicyclo[2.2.2]octan-3-ol is sourced from PubChem (CID 10104527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).