N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylprop-2-ene-1-sulfonamide

C12H22N2O2S — CID 79672709

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylprop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)N(CC)C1CC2CCC(C1)N2
InChIInChI=1S/C12H22N2O2S/c1-3-7-17(15,16)14(4-2)12-8-10-5-6-11(9-12)13-10/h3,10-13H,1,4-9H2,2H3
InChIKeyUMCFOHPEBVKPIU-UHFFFAOYSA-N
MW258.39 g/mol
LogP1.11
Rot. Bonds5

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylprop-2-ene-1-sulfonamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylprop-2-ene-1-sulfonamide (PubChem CID 79672709) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylprop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylprop-2-ene-1-sulfonamide
PubChem CID79672709
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylprop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)N(CC)C1CC2CCC(C1)N2
InChIInChI=1S/C12H22N2O2S/c1-3-7-17(15,16)14(4-2)12-8-10-5-6-11(9-12)13-10/h3,10-13H,1,4-9H2,2H3
InChIKeyUMCFOHPEBVKPIU-UHFFFAOYSA-N
XLogP1.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methoxypropane-1-sulfonamide
CID 63288003
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1H-pyrazole-4-sulfonamide
CID 61230576
N-propyl-N-pyrrolidin-3-ylprop-2-ene-1-sulfonamide
CID 79673607
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1H-pyrazole-5-sulfonamide
CID 102693564
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylcyclopentanesulfonamide
CID 105361380
N-(4-aminocyclohexyl)-N-propylprop-2-ene-1-sulfonamide
CID 79672716
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,5-dimethylthiophene-3-sulfonamide
CID 61232487
N-piperidin-3-yl-N-propylprop-2-ene-1-sulfonamide
CID 79673907
ethyl 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)sulfamoyl]acetate
CID 61457503
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-4-chloro-N-ethylthiophene-2-sulfonamide
CID 80577585
N-hept-6-enyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107007984
N-cyclopentyl-N-ethylethanesulfonamide
CID 61356530

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylprop-2-ene-1-sulfonamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylprop-2-ene-1-sulfonamide (CID 79672709) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylprop-2-ene-1-sulfonamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylprop-2-ene-1-sulfonamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylprop-2-ene-1-sulfonamide is C=CCS(=O)(=O)N(CC)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylprop-2-ene-1-sulfonamide?
The InChIKey is UMCFOHPEBVKPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-3-7-17(15,16)14(4-2)12-8-10-5-6-11(9-12)13-10/h3,10-13H,1,4-9H2,2H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylprop-2-ene-1-sulfonamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylprop-2-ene-1-sulfonamide has a molecular weight of 258.39 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylprop-2-ene-1-sulfonamide is sourced from PubChem (CID 79672709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).