[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzyl-N-(thiophen-2-ylmethyl)carbamate

C20H24N2O2S — CID 54584800

IUPAC[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzyl-N-(thiophen-2-ylmethyl)carbamate
SMILESO=C(O[C@H]1CN2CCC1CC2)N(Cc1ccccc1)Cc1cccs1
InChIInChI=1S/C20H24N2O2S/c23-20(24-19-15-21-10-8-17(19)9-11-21)22(14-18-7-4-12-25-18)13-16-5-2-1-3-6-16/h1-7,12,17,19H,8-11,13-15H2/t19-/m0/s1
InChIKeyCRWJHTMQXCFORB-IBGZPJMESA-N
MW356.49 g/mol
LogP3.98
Rot. Bonds5

About [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzyl-N-(thiophen-2-ylmethyl)carbamate

[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzyl-N-(thiophen-2-ylmethyl)carbamate (PubChem CID 54584800) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzyl-N-(thiophen-2-ylmethyl)carbamate.

Molecular Properties

Compound Name[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzyl-N-(thiophen-2-ylmethyl)carbamate
PubChem CID54584800
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzyl-N-(thiophen-2-ylmethyl)carbamate
SMILESO=C(O[C@H]1CN2CCC1CC2)N(Cc1ccccc1)Cc1cccs1
InChIInChI=1S/C20H24N2O2S/c23-20(24-19-15-21-10-8-17(19)9-11-21)22(14-18-7-4-12-25-18)13-16-5-2-1-3-6-16/h1-7,12,17,19H,8-11,13-15H2/t19-/m0/s1
InChIKeyCRWJHTMQXCFORB-IBGZPJMESA-N
XLogP3.98
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzyl-N-(thiophen-2-ylmethyl)carbamate 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 [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzyl-N-(thiophen-2-ylmethyl)carbamate?
The IUPAC name of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzyl-N-(thiophen-2-ylmethyl)carbamate (CID 54584800) is [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzyl-N-(thiophen-2-ylmethyl)carbamate.
What is the SMILES notation for [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzyl-N-(thiophen-2-ylmethyl)carbamate?
The canonical SMILES for [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzyl-N-(thiophen-2-ylmethyl)carbamate is O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccccc1)Cc1cccs1.
What is the InChIKey of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzyl-N-(thiophen-2-ylmethyl)carbamate?
The InChIKey is CRWJHTMQXCFORB-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O2S/c23-20(24-19-15-21-10-8-17(19)9-11-21)22(14-18-7-4-12-25-18)13-16-5-2-1-3-6-16/h1-7,12,17,19H,8-11,13-15H2/t19-/m0/s1.
What are the key properties of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzyl-N-(thiophen-2-ylmethyl)carbamate?
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzyl-N-(thiophen-2-ylmethyl)carbamate has a molecular weight of 356.49 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzyl-N-(thiophen-2-ylmethyl)carbamate is sourced from PubChem (CID 54584800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).