N-(1-azabicyclo[3.2.2]nonan-3-yl)-1-benzothiophene-5-carboxamide

C17H20N2OS — CID 22481698

IUPACN-(1-azabicyclo[3.2.2]nonan-3-yl)-1-benzothiophene-5-carboxamide
SMILESO=C(NC1CC2CCN(CC2)C1)c1ccc2sccc2c1
InChIInChI=1S/C17H20N2OS/c20-17(14-1-2-16-13(10-14)5-8-21-16)18-15-9-12-3-6-19(11-15)7-4-12/h1-2,5,8,10,12,15H,3-4,6-7,9,11H2,(H,18,20)
InChIKeyZQMDEHWELJXWRY-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.12
Rot. Bonds2

About N-(1-azabicyclo[3.2.2]nonan-3-yl)-1-benzothiophene-5-carboxamide

N-(1-azabicyclo[3.2.2]nonan-3-yl)-1-benzothiophene-5-carboxamide (PubChem CID 22481698) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.2]nonan-3-yl)-1-benzothiophene-5-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.2]nonan-3-yl)-1-benzothiophene-5-carboxamide
PubChem CID22481698
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-(1-azabicyclo[3.2.2]nonan-3-yl)-1-benzothiophene-5-carboxamide
SMILESO=C(NC1CC2CCN(CC2)C1)c1ccc2sccc2c1
InChIInChI=1S/C17H20N2OS/c20-17(14-1-2-16-13(10-14)5-8-21-16)18-15-9-12-3-6-19(11-15)7-4-12/h1-2,5,8,10,12,15H,3-4,6-7,9,11H2,(H,18,20)
InChIKeyZQMDEHWELJXWRY-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-azabicyclo[3.2.2]nonan-3-yl)-1-benzothiophene-6-carboxamide
CID 22481751
N-piperidin-3-yl-1-benzothiophene-5-carboxamide
CID 119426134
N-(1-azabicyclo[3.2.2]nonan-3-yl)-7-methoxynaphthalene-2-carboxamide
CID 22243566
5-amino-N-(1-azabicyclo[3.2.2]nonan-3-yl)naphthalene-2-carboxamide
CID 22243655
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1-benzothiophene-5-carboxamide
CID 20782103
N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-benzothiophene-6-carboxamide
CID 22481780
N-(1-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 22313423
4-(4-aminophenyl)sulfanyl-N-(1-azabicyclo[3.2.2]nonan-3-yl)benzamide
CID 22573724
N-(1-azabicyclo[3.2.1]octan-3-yl)-1-benzofuran-6-carboxamide
CID 22481709
N-(1-azabicyclo[3.2.1]octan-3-yl)thieno[2,3-b]pyridine-6-carboxamide
CID 22389175
N-(1-azabicyclo[3.2.2]nonan-3-yl)thieno[2,3-b]pyridine-4-carboxamide
CID 90905599
3-[4-(1-azabicyclo[3.2.2]nonan-3-ylcarbamoyl)phenyl]sulfanylbenzamide
CID 22573271

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.2]nonan-3-yl)-1-benzothiophene-5-carboxamide?
The IUPAC name of N-(1-azabicyclo[3.2.2]nonan-3-yl)-1-benzothiophene-5-carboxamide (CID 22481698) is N-(1-azabicyclo[3.2.2]nonan-3-yl)-1-benzothiophene-5-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[3.2.2]nonan-3-yl)-1-benzothiophene-5-carboxamide?
The canonical SMILES for N-(1-azabicyclo[3.2.2]nonan-3-yl)-1-benzothiophene-5-carboxamide is O=C(NC1CC2CCN(CC2)C1)c1ccc2sccc2c1.
What is the InChIKey of N-(1-azabicyclo[3.2.2]nonan-3-yl)-1-benzothiophene-5-carboxamide?
The InChIKey is ZQMDEHWELJXWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c20-17(14-1-2-16-13(10-14)5-8-21-16)18-15-9-12-3-6-19(11-15)7-4-12/h1-2,5,8,10,12,15H,3-4,6-7,9,11H2,(H,18,20).
What are the key properties of N-(1-azabicyclo[3.2.2]nonan-3-yl)-1-benzothiophene-5-carboxamide?
N-(1-azabicyclo[3.2.2]nonan-3-yl)-1-benzothiophene-5-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.2.2]nonan-3-yl)-1-benzothiophene-5-carboxamide is sourced from PubChem (CID 22481698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).