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

C12H16N2O2S — CID 69351700

IUPACthiophen-2-yl N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate
SMILESO=C(NC1CN2CCC1CC2)Oc1cccs1
InChIInChI=1S/C12H16N2O2S/c15-12(16-11-2-1-7-17-11)13-10-8-14-5-3-9(10)4-6-14/h1-2,7,9-10H,3-6,8H2,(H,13,15)
InChIKeyMHRPKHIDKFTAAX-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.93
Rot. Bonds2

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

thiophen-2-yl N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate (PubChem CID 69351700) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is thiophen-2-yl N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate.

Molecular Properties

Compound Namethiophen-2-yl N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate
PubChem CID69351700
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Namethiophen-2-yl N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate
SMILESO=C(NC1CN2CCC1CC2)Oc1cccs1
InChIInChI=1S/C12H16N2O2S/c15-12(16-11-2-1-7-17-11)13-10-8-14-5-3-9(10)4-6-14/h1-2,7,9-10H,3-6,8H2,(H,13,15)
InChIKeyMHRPKHIDKFTAAX-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-phenylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate
CID 69301942
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-hydroxy-2,2-dithiophen-2-ylacetamide
CID 10020681
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-hydroxy-2,2-dithiophen-2-ylacetamide
CID 11725334
(4-pyridin-3-ylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate
CID 69301770
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(125I)iodo(125I)benzamide
CID 11325679
N-(dithiophen-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43763538
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-chloro-5-thiophen-2-yl-3H-thiophene-2-carboxamide
CID 70125318
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydroxybenzamide
CID 15020109
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 23599504
[(1S)-1-(2-fluorophenyl)ethyl] N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]carbamate
CID 11679149
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-phenoxyacetamide
CID 5092006

Frequently Asked Questions

What is the IUPAC name of thiophen-2-yl N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate?
The IUPAC name of thiophen-2-yl N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate (CID 69351700) is thiophen-2-yl N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate.
What is the SMILES notation for thiophen-2-yl N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate?
The canonical SMILES for thiophen-2-yl N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate is O=C(NC1CN2CCC1CC2)Oc1cccs1.
What is the InChIKey of thiophen-2-yl N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate?
The InChIKey is MHRPKHIDKFTAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c15-12(16-11-2-1-7-17-11)13-10-8-14-5-3-9(10)4-6-14/h1-2,7,9-10H,3-6,8H2,(H,13,15).
What are the key properties of thiophen-2-yl N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate?
thiophen-2-yl N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate has a molecular weight of 252.34 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-yl N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate is sourced from PubChem (CID 69351700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).