N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-benzothiophene-6-carboxamide

C15H16N2OS — CID 22481780

IUPACN-(1-azabicyclo[2.2.1]heptan-3-yl)-1-benzothiophene-6-carboxamide
SMILESO=C(NC1CN2CCC1C2)c1ccc2ccsc2c1
InChIInChI=1S/C15H16N2OS/c18-15(16-13-9-17-5-3-12(13)8-17)11-2-1-10-4-6-19-14(10)7-11/h1-2,4,6-7,12-13H,3,5,8-9H2,(H,16,18)
InChIKeyFAANZPHMLANWAQ-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.34
Rot. Bonds2

About N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-benzothiophene-6-carboxamide

N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-benzothiophene-6-carboxamide (PubChem CID 22481780) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-benzothiophene-6-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.1]heptan-3-yl)-1-benzothiophene-6-carboxamide
PubChem CID22481780
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-(1-azabicyclo[2.2.1]heptan-3-yl)-1-benzothiophene-6-carboxamide
SMILESO=C(NC1CN2CCC1C2)c1ccc2ccsc2c1
InChIInChI=1S/C15H16N2OS/c18-15(16-13-9-17-5-3-12(13)8-17)11-2-1-10-4-6-19-14(10)7-11/h1-2,4,6-7,12-13H,3,5,8-9H2,(H,16,18)
InChIKeyFAANZPHMLANWAQ-UHFFFAOYSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.34
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-(1-azabicyclo[2.2.2]octan-3-yl)-2-benzothiophene-5-carboxamide
CID 23529193
N-(1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide
CID 22047030
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide
CID 22573704
N-(1-azabicyclo[3.2.2]nonan-3-yl)-1-benzothiophene-5-carboxamide
CID 22481698
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]thieno[2,3-b]pyridine-6-carboxamide
CID 58651148
N-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-benzoxazole-6-carboxamide
CID 22591329
N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-benzothiazole-5-carboxamide;hydrochloride
CID 66636410
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide
CID 22573649
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(iodomethylsulfanyl)benzamide
CID 89102396
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1-benzothiophene-5-carboxamide
CID 20782103
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylquinoline-6-carboxamide
CID 58932940

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-benzothiophene-6-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-benzothiophene-6-carboxamide (CID 22481780) is N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-benzothiophene-6-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-benzothiophene-6-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-benzothiophene-6-carboxamide is O=C(NC1CN2CCC1C2)c1ccc2ccsc2c1.
What is the InChIKey of N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-benzothiophene-6-carboxamide?
The InChIKey is FAANZPHMLANWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c18-15(16-13-9-17-5-3-12(13)8-17)11-2-1-10-4-6-19-14(10)7-11/h1-2,4,6-7,12-13H,3,5,8-9H2,(H,16,18).
What are the key properties of N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-benzothiophene-6-carboxamide?
N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-benzothiophene-6-carboxamide has a molecular weight of 272.37 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-benzothiophene-6-carboxamide is sourced from PubChem (CID 22481780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).