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

C18H22N2O2S2 — CID 10133281

IUPAC[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N,N-bis(thiophen-2-ylmethyl)carbamate
SMILESO=C(O[C@H]1CN2CCC1CC2)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C18H22N2O2S2/c21-18(22-17-13-19-7-5-14(17)6-8-19)20(11-15-3-1-9-23-15)12-16-4-2-10-24-16/h1-4,9-10,14,17H,5-8,11-13H2/t17-/m0/s1
InChIKeyVRZIYMYSNOVVOK-KRWDZBQOSA-N
MW362.52 g/mol
LogP4.04
Rot. Bonds5

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

[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N,N-bis(thiophen-2-ylmethyl)carbamate (PubChem CID 10133281) has the molecular formula C18H22N2O2S2 and a molecular weight of 362.52 g/mol. Its IUPAC name is [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N,N-bis(thiophen-2-ylmethyl)carbamate.

Molecular Properties

Compound Name[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N,N-bis(thiophen-2-ylmethyl)carbamate
PubChem CID10133281
Molecular FormulaC18H22N2O2S2
Molecular Weight362.52 g/mol
Exact Mass362.11
IUPAC Name[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N,N-bis(thiophen-2-ylmethyl)carbamate
SMILESO=C(O[C@H]1CN2CCC1CC2)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C18H22N2O2S2/c21-18(22-17-13-19-7-5-14(17)6-8-19)20(11-15-3-1-9-23-15)12-16-4-2-10-24-16/h1-4,9-10,14,17H,5-8,11-13H2/t17-/m0/s1
InChIKeyVRZIYMYSNOVVOK-KRWDZBQOSA-N
XLogP4.04
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N,N-bis(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

Related Compounds

(R)-quinuclidin-3-yl butyl(thiophen-2-ylmethyl)carbamate
CID 9966959
[(3R)-1-(3-thiophen-2-ylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] N-phenyl-N-(thiophen-2-ylmethyl)carbamate bromide
CID 10119938
(R)-quinuclidin-3-yl benzyl(thiophen-2-ylmethyl)carbamate
CID 54584800
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(thiophen-3-ylmethyl)-N-[(2,4,5-trifluorophenyl)methyl]carbamate
CID 10024540
(R)-3-(phenyl(thiophen-2-ylmethyl)carbamoyloxy)-1-(3-(thiophen-2-yl)propyl)-1-azoniabicyclo[2.2.2]octane bromide
CID 10119939
(R)-3-(phenyl(thiophen-3-ylmethyl)carbamoyloxy)-1-(3-(thiophen-2-yl)propyl)-1-azoniabicyclo[2.2.2]octane bromide
CID 10143858
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[2-(4-fluorophenyl)ethyl]-N-[(3-methylthiophen-2-yl)methyl]carbamate
CID 10386401
[(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] N-[2-(4-fluorophenyl)ethyl]-N-[(3-methylthiophen-2-yl)methyl]carbamate
CID 11569956
[1-(3-thiophen-2-ylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] N-phenyl-N-(thiophen-2-ylmethyl)carbamate
CID 44215541
1-azabicyclo[2.2.2]octan-3-yl N-butyl-N-(thiophen-2-ylmethyl)carbamate
CID 44215855
[(3R)-1-(2-phenylethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] N-(thiophen-2-ylmethyl)-N-[(2,4,5-trifluorophenyl)methyl]carbamate
CID 9986463
[(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] N-[2-(4-fluorophenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]carbamate
CID 10099237

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N,N-bis(thiophen-2-ylmethyl)carbamate?
The IUPAC name of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N,N-bis(thiophen-2-ylmethyl)carbamate (CID 10133281) is [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N,N-bis(thiophen-2-ylmethyl)carbamate.
What is the SMILES notation for [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N,N-bis(thiophen-2-ylmethyl)carbamate?
The canonical SMILES for [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N,N-bis(thiophen-2-ylmethyl)carbamate is O=C(O[C@H]1CN2CCC1CC2)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N,N-bis(thiophen-2-ylmethyl)carbamate?
The InChIKey is VRZIYMYSNOVVOK-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N2O2S2/c21-18(22-17-13-19-7-5-14(17)6-8-19)20(11-15-3-1-9-23-15)12-16-4-2-10-24-16/h1-4,9-10,14,17H,5-8,11-13H2/t17-/m0/s1.
What are the key properties of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N,N-bis(thiophen-2-ylmethyl)carbamate?
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N,N-bis(thiophen-2-ylmethyl)carbamate has a molecular weight of 362.52 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N,N-bis(thiophen-2-ylmethyl)carbamate is sourced from PubChem (CID 10133281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).