N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1-benzothiophene-3-carboxamide

C17H20N2O2S — CID 122152007

IUPACN-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1-benzothiophene-3-carboxamide
SMILESO=C(NCCN1CC2CCC(C1)O2)c1csc2ccccc12
InChIInChI=1S/C17H20N2O2S/c20-17(15-11-22-16-4-2-1-3-14(15)16)18-7-8-19-9-12-5-6-13(10-19)21-12/h1-4,11-13H,5-10H2,(H,18,20)
InChIKeyBWSUBQPSYZFWKY-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.49
Rot. Bonds4

About N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1-benzothiophene-3-carboxamide

N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1-benzothiophene-3-carboxamide (PubChem CID 122152007) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1-benzothiophene-3-carboxamide
PubChem CID122152007
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1-benzothiophene-3-carboxamide
SMILESO=C(NCCN1CC2CCC(C1)O2)c1csc2ccccc12
InChIInChI=1S/C17H20N2O2S/c20-17(15-11-22-16-4-2-1-3-14(15)16)18-7-8-19-9-12-5-6-13(10-19)21-12/h1-4,11-13H,5-10H2,(H,18,20)
InChIKeyBWSUBQPSYZFWKY-UHFFFAOYSA-N
XLogP2.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1-benzothiophene-3-carboxamide (CID 122152007) is N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1-benzothiophene-3-carboxamide is O=C(NCCN1CC2CCC(C1)O2)c1csc2ccccc12.
What is the InChIKey of N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1-benzothiophene-3-carboxamide?
The InChIKey is BWSUBQPSYZFWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c20-17(15-11-22-16-4-2-1-3-14(15)16)18-7-8-19-9-12-5-6-13(10-19)21-12/h1-4,11-13H,5-10H2,(H,18,20).
What are the key properties of N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1-benzothiophene-3-carboxamide?
N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1-benzothiophene-3-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 122152007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).