N-(8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide

C13H18N2O2S — CID 61231401

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CC2CCC(C1)N2)c1ccccc1
InChIInChI=1S/C13H18N2O2S/c16-18(17,13-4-2-1-3-5-13)15-12-8-10-6-7-11(9-12)14-10/h1-5,10-12,14-15H,6-9H2
InChIKeyNLEUAOQBALSWJS-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.25
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide

N-(8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide (PubChem CID 61231401) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide
PubChem CID61231401
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CC2CCC(C1)N2)c1ccccc1
InChIInChI=1S/C13H18N2O2S/c16-18(17,13-4-2-1-3-5-13)15-12-8-10-6-7-11(9-12)14-10/h1-5,10-12,14-15H,6-9H2
InChIKeyNLEUAOQBALSWJS-UHFFFAOYSA-N
XLogP1.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide with MolForge

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chlorobenzenesulfonamide
CID 61232934
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenylbenzenesulfonamide
CID 119967726
methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)benzoate
CID 119967795
3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)benzamide;hydrochloride
CID 119967652
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-phenylmethanesulfonamide
CID 61231975
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylbutyl)benzenesulfonamide
CID 119968036
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3,5-dimethylbenzenesulfonamide
CID 119967835
N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653533
N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685431
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]benzenesulfonamide
CID 43602911
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-bromo-4-nitrobenzenesulfonamide
CID 119967656
N-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 2407943

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide (CID 61231401) is N-(8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide is O=S(=O)(NC1CC2CCC(C1)N2)c1ccccc1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide?
The InChIKey is NLEUAOQBALSWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c16-18(17,13-4-2-1-3-5-13)15-12-8-10-6-7-11(9-12)14-10/h1-5,10-12,14-15H,6-9H2.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide has a molecular weight of 266.37 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 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)benzenesulfonamide is sourced from PubChem (CID 61231401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).