[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] thiophene-2-carboxylate

C13H17NO2S — CID 46226661

IUPAC[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] thiophene-2-carboxylate
SMILESCN1[C@@H]2CC[C@@H]1CC(OC(=O)c1cccs1)C2
InChIInChI=1S/C13H17NO2S/c1-14-9-4-5-10(14)8-11(7-9)16-13(15)12-3-2-6-17-12/h2-3,6,9-11H,4-5,7-8H2,1H3/t9-,10-/m1/s1
InChIKeyJDLRSQVASPMBKN-NXEZZACHSA-N
MW251.35 g/mol
LogP2.53
Rot. Bonds2

About [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] thiophene-2-carboxylate

[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] thiophene-2-carboxylate (PubChem CID 46226661) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] thiophene-2-carboxylate
PubChem CID46226661
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] thiophene-2-carboxylate
SMILESCN1[C@@H]2CC[C@@H]1CC(OC(=O)c1cccs1)C2
InChIInChI=1S/C13H17NO2S/c1-14-9-4-5-10(14)8-11(7-9)16-13(15)12-3-2-6-17-12/h2-3,6,9-11H,4-5,7-8H2,1H3/t9-,10-/m1/s1
InChIKeyJDLRSQVASPMBKN-NXEZZACHSA-N
XLogP2.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] thiophene-2-carboxylate 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 [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] thiophene-2-carboxylate?
The IUPAC name of [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] thiophene-2-carboxylate (CID 46226661) is [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] thiophene-2-carboxylate.
What is the SMILES notation for [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] thiophene-2-carboxylate?
The canonical SMILES for [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] thiophene-2-carboxylate is CN1[C@@H]2CC[C@@H]1CC(OC(=O)c1cccs1)C2.
What is the InChIKey of [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] thiophene-2-carboxylate?
The InChIKey is JDLRSQVASPMBKN-NXEZZACHSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-14-9-4-5-10(14)8-11(7-9)16-13(15)12-3-2-6-17-12/h2-3,6,9-11H,4-5,7-8H2,1H3/t9-,10-/m1/s1.
What are the key properties of [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] thiophene-2-carboxylate?
[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] thiophene-2-carboxylate has a molecular weight of 251.35 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] thiophene-2-carboxylate is sourced from PubChem (CID 46226661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).