N-(thiophen-2-ylmethyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide

C12H16N2O2S — CID 71795965

IUPACN-(thiophen-2-ylmethyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NCc1cccs1)N1C2CCC1COC2
InChIInChI=1S/C12H16N2O2S/c15-12(13-6-11-2-1-5-17-11)14-9-3-4-10(14)8-16-7-9/h1-2,5,9-10H,3-4,6-8H2,(H,13,15)
InChIKeyIUOPJNWCXNQKHY-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.82
Rot. Bonds2

About N-(thiophen-2-ylmethyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide

N-(thiophen-2-ylmethyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 71795965) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID71795965
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-(thiophen-2-ylmethyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NCc1cccs1)N1C2CCC1COC2
InChIInChI=1S/C12H16N2O2S/c15-12(13-6-11-2-1-5-17-11)14-9-3-4-10(14)8-16-7-9/h1-2,5,9-10H,3-4,6-8H2,(H,13,15)
InChIKeyIUOPJNWCXNQKHY-UHFFFAOYSA-N
XLogP1.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(thiophen-2-ylmethyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 71795965) is N-(thiophen-2-ylmethyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C(NCc1cccs1)N1C2CCC1COC2.
What is the InChIKey of N-(thiophen-2-ylmethyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is IUOPJNWCXNQKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c15-12(13-6-11-2-1-5-17-11)14-9-3-4-10(14)8-16-7-9/h1-2,5,9-10H,3-4,6-8H2,(H,13,15).
What are the key properties of N-(thiophen-2-ylmethyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-(thiophen-2-ylmethyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 71795965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).