N-(2-ethylsulfonylethyl)-1-azabicyclo[2.2.2]octan-3-amine

C11H22N2O2S — CID 43807688

IUPACN-(2-ethylsulfonylethyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCS(=O)(=O)CCNC1CN2CCC1CC2
InChIInChI=1S/C11H22N2O2S/c1-2-16(14,15)8-5-12-11-9-13-6-3-10(11)4-7-13/h10-12H,2-9H2,1H3
InChIKeyYIHOBGBXYSNXRG-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.10
Rot. Bonds5

About N-(2-ethylsulfonylethyl)-1-azabicyclo[2.2.2]octan-3-amine

N-(2-ethylsulfonylethyl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 43807688) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID43807688
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-(2-ethylsulfonylethyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCS(=O)(=O)CCNC1CN2CCC1CC2
InChIInChI=1S/C11H22N2O2S/c1-2-16(14,15)8-5-12-11-9-13-6-3-10(11)4-7-13/h10-12H,2-9H2,1H3
InChIKeyYIHOBGBXYSNXRG-UHFFFAOYSA-N
XLogP0.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 28596292
3-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)ethyl]-1,1-dimethylurea
CID 83116933
N-(3-triethoxysilylpropyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 134940573
N-(7-methyloctyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121717
5-(1-azabicyclo[2.2.2]octan-3-ylamino)pentan-2-ol
CID 106122442
N-[(4-ethylcyclohexyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 60971601
(3S)-N-(cyclopropylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 28948976
N-[2-(1-methylpiperidin-2-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 60690787
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-chloromethanesulfonamide
CID 63666165
1-ethyl-N-(2-ethylsulfonylethyl)piperidin-4-amine
CID 115716494
(1S,2S,6R,7R,8S)-N-(2-ethylsulfonylethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 99851077
N-[(4-ethylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 17158935

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-(2-ethylsulfonylethyl)-1-azabicyclo[2.2.2]octan-3-amine (CID 43807688) is N-(2-ethylsulfonylethyl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-(2-ethylsulfonylethyl)-1-azabicyclo[2.2.2]octan-3-amine is CCS(=O)(=O)CCNC1CN2CCC1CC2.
What is the InChIKey of N-(2-ethylsulfonylethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is YIHOBGBXYSNXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-2-16(14,15)8-5-12-11-9-13-6-3-10(11)4-7-13/h10-12H,2-9H2,1H3.
What are the key properties of N-(2-ethylsulfonylethyl)-1-azabicyclo[2.2.2]octan-3-amine?
N-(2-ethylsulfonylethyl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 246.38 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 43807688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).