N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-cyanophenyl)methanesulfonamide;hydrochloride

C15H20ClN3O2S — CID 119967873

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-cyanophenyl)methanesulfonamide;hydrochloride
SMILESCl.N#Cc1cccc(CS(=O)(=O)NC2CC3CCC(C2)N3)c1
InChIInChI=1S/C15H19N3O2S.ClH/c16-9-11-2-1-3-12(6-11)10-21(19,20)18-15-7-13-4-5-14(8-15)17-13;/h1-3,6,13-15,17-18H,4-5,7-8,10H2;1H
InChIKeyANDBYPMFKBTMIP-UHFFFAOYSA-N
MW341.86 g/mol
LogP1.68
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-cyanophenyl)methanesulfonamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-cyanophenyl)methanesulfonamide;hydrochloride (PubChem CID 119967873) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-cyanophenyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-cyanophenyl)methanesulfonamide;hydrochloride
PubChem CID119967873
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-cyanophenyl)methanesulfonamide;hydrochloride
SMILESCl.N#Cc1cccc(CS(=O)(=O)NC2CC3CCC(C2)N3)c1
InChIInChI=1S/C15H19N3O2S.ClH/c16-9-11-2-1-3-12(6-11)10-21(19,20)18-15-7-13-4-5-14(8-15)17-13;/h1-3,6,13-15,17-18H,4-5,7-8,10H2;1H
InChIKeyANDBYPMFKBTMIP-UHFFFAOYSA-N
XLogP1.68
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-1-phenylmethanesulfonamide
CID 61231975
1-(3-cyanophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide
CID 114695190
(3-cyanophenyl)methanesulfonohydrazide
CID 43476897
1-(3-cyanophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)methanesulfonamide
CID 55171408
1-cyano-3-[[cyclopropylsulfamoyl(methyl)amino]methyl]benzene
CID 113424588
1-(3-cyanophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972420
3-[2-(9-azabicyclo[3.3.1]nonan-3-yl)-2-oxoethyl]benzonitrile
CID 171946443
1-(4-cyanophenyl)-N-(1,1-dioxothian-4-yl)methanesulfonamide
CID 43615313
1-(4-cyanophenyl)-N-[4-(methylamino)cyclohexyl]methanesulfonamide
CID 79117976
1-(3-cyanophenyl)-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
CID 129425600
1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclobutyl]methanesulfonamide
CID 115902984
N-(4-aminocyclohexyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide
CID 79113614

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-cyanophenyl)methanesulfonamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-cyanophenyl)methanesulfonamide;hydrochloride (CID 119967873) is N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-cyanophenyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-cyanophenyl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-cyanophenyl)methanesulfonamide;hydrochloride is Cl.N#Cc1cccc(CS(=O)(=O)NC2CC3CCC(C2)N3)c1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-cyanophenyl)methanesulfonamide;hydrochloride?
The InChIKey is ANDBYPMFKBTMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S.ClH/c16-9-11-2-1-3-12(6-11)10-21(19,20)18-15-7-13-4-5-14(8-15)17-13;/h1-3,6,13-15,17-18H,4-5,7-8,10H2;1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-cyanophenyl)methanesulfonamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-cyanophenyl)methanesulfonamide;hydrochloride has a molecular weight of 341.86 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-cyanophenyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 119967873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).