N-(4-thiophen-2-ylphenyl)-1-azabicyclo[2.2.2]octane-3-carboxamide;hydrochloride

C18H21ClN2OS — CID 10236954

IUPACN-(4-thiophen-2-ylphenyl)-1-azabicyclo[2.2.2]octane-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(-c2cccs2)cc1)C1CN2CCC1CC2
InChIInChI=1S/C18H20N2OS.ClH/c21-18(16-12-20-9-7-13(16)8-10-20)19-15-5-3-14(4-6-15)17-2-1-11-22-17;/h1-6,11,13,16H,7-10,12H2,(H,19,21);1H
InChIKeyKAZNJFJRDOWMDW-UHFFFAOYSA-N
MW348.90 g/mol
LogP4.12
Rot. Bonds3

About N-(4-thiophen-2-ylphenyl)-1-azabicyclo[2.2.2]octane-3-carboxamide;hydrochloride

N-(4-thiophen-2-ylphenyl)-1-azabicyclo[2.2.2]octane-3-carboxamide;hydrochloride (PubChem CID 10236954) has the molecular formula C18H21ClN2OS and a molecular weight of 348.90 g/mol. Its IUPAC name is N-(4-thiophen-2-ylphenyl)-1-azabicyclo[2.2.2]octane-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-thiophen-2-ylphenyl)-1-azabicyclo[2.2.2]octane-3-carboxamide;hydrochloride
PubChem CID10236954
Molecular FormulaC18H21ClN2OS
Molecular Weight348.90 g/mol
Exact Mass348.11
IUPAC NameN-(4-thiophen-2-ylphenyl)-1-azabicyclo[2.2.2]octane-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(-c2cccs2)cc1)C1CN2CCC1CC2
InChIInChI=1S/C18H20N2OS.ClH/c21-18(16-12-20-9-7-13(16)8-10-20)19-15-5-3-14(4-6-15)17-2-1-11-22-17;/h1-6,11,13,16H,7-10,12H2,(H,19,21);1H
InChIKeyKAZNJFJRDOWMDW-UHFFFAOYSA-N
XLogP4.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.90
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-thiophen-2-ylphenyl)-1-azabicyclo[2.2.2]octane-3-carboxamide;hydrochloride?
The IUPAC name of N-(4-thiophen-2-ylphenyl)-1-azabicyclo[2.2.2]octane-3-carboxamide;hydrochloride (CID 10236954) is N-(4-thiophen-2-ylphenyl)-1-azabicyclo[2.2.2]octane-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-thiophen-2-ylphenyl)-1-azabicyclo[2.2.2]octane-3-carboxamide;hydrochloride?
The canonical SMILES for N-(4-thiophen-2-ylphenyl)-1-azabicyclo[2.2.2]octane-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(-c2cccs2)cc1)C1CN2CCC1CC2.
What is the InChIKey of N-(4-thiophen-2-ylphenyl)-1-azabicyclo[2.2.2]octane-3-carboxamide;hydrochloride?
The InChIKey is KAZNJFJRDOWMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS.ClH/c21-18(16-12-20-9-7-13(16)8-10-20)19-15-5-3-14(4-6-15)17-2-1-11-22-17;/h1-6,11,13,16H,7-10,12H2,(H,19,21);1H.
What are the key properties of N-(4-thiophen-2-ylphenyl)-1-azabicyclo[2.2.2]octane-3-carboxamide;hydrochloride?
N-(4-thiophen-2-ylphenyl)-1-azabicyclo[2.2.2]octane-3-carboxamide;hydrochloride has a molecular weight of 348.90 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-thiophen-2-ylphenyl)-1-azabicyclo[2.2.2]octane-3-carboxamide;hydrochloride is sourced from PubChem (CID 10236954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).