1-azabicyclo[2.2.2]octan-3-yl N-[2-(2-fluorophenyl)thiophen-3-yl]carbamate

C18H19FN2O2S — CID 25007331

IUPAC1-azabicyclo[2.2.2]octan-3-yl N-[2-(2-fluorophenyl)thiophen-3-yl]carbamate
SMILESO=C(Nc1ccsc1-c1ccccc1F)OC1CN2CCC1CC2
InChIInChI=1S/C18H19FN2O2S/c19-14-4-2-1-3-13(14)17-15(7-10-24-17)20-18(22)23-16-11-21-8-5-12(16)6-9-21/h1-4,7,10,12,16H,5-6,8-9,11H2,(H,20,22)
InChIKeyLUMLHRYWVPVRNV-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.20
Rot. Bonds3

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

1-azabicyclo[2.2.2]octan-3-yl N-[2-(2-fluorophenyl)thiophen-3-yl]carbamate (PubChem CID 25007331) has the molecular formula C18H19FN2O2S and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-azabicyclo[2.2.2]octan-3-yl N-[2-(2-fluorophenyl)thiophen-3-yl]carbamate.

Molecular Properties

Compound Name1-azabicyclo[2.2.2]octan-3-yl N-[2-(2-fluorophenyl)thiophen-3-yl]carbamate
PubChem CID25007331
Molecular FormulaC18H19FN2O2S
Molecular Weight346.43 g/mol
Exact Mass346.12
IUPAC Name1-azabicyclo[2.2.2]octan-3-yl N-[2-(2-fluorophenyl)thiophen-3-yl]carbamate
SMILESO=C(Nc1ccsc1-c1ccccc1F)OC1CN2CCC1CC2
InChIInChI=1S/C18H19FN2O2S/c19-14-4-2-1-3-13(14)17-15(7-10-24-17)20-18(22)23-16-11-21-8-5-12(16)6-9-21/h1-4,7,10,12,16H,5-6,8-9,11H2,(H,20,22)
InChIKeyLUMLHRYWVPVRNV-UHFFFAOYSA-N
XLogP4.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.2]octan-3-yl N-[2-(2-fluorophenyl)thiophen-3-yl]carbamate?
The IUPAC name of 1-azabicyclo[2.2.2]octan-3-yl N-[2-(2-fluorophenyl)thiophen-3-yl]carbamate (CID 25007331) is 1-azabicyclo[2.2.2]octan-3-yl N-[2-(2-fluorophenyl)thiophen-3-yl]carbamate.
What is the SMILES notation for 1-azabicyclo[2.2.2]octan-3-yl N-[2-(2-fluorophenyl)thiophen-3-yl]carbamate?
The canonical SMILES for 1-azabicyclo[2.2.2]octan-3-yl N-[2-(2-fluorophenyl)thiophen-3-yl]carbamate is O=C(Nc1ccsc1-c1ccccc1F)OC1CN2CCC1CC2.
What is the InChIKey of 1-azabicyclo[2.2.2]octan-3-yl N-[2-(2-fluorophenyl)thiophen-3-yl]carbamate?
The InChIKey is LUMLHRYWVPVRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2S/c19-14-4-2-1-3-13(14)17-15(7-10-24-17)20-18(22)23-16-11-21-8-5-12(16)6-9-21/h1-4,7,10,12,16H,5-6,8-9,11H2,(H,20,22).
What are the key properties of 1-azabicyclo[2.2.2]octan-3-yl N-[2-(2-fluorophenyl)thiophen-3-yl]carbamate?
1-azabicyclo[2.2.2]octan-3-yl N-[2-(2-fluorophenyl)thiophen-3-yl]carbamate has a molecular weight of 346.43 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.2]octan-3-yl N-[2-(2-fluorophenyl)thiophen-3-yl]carbamate is sourced from PubChem (CID 25007331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).