2-(8-azabicyclo[3.2.1]octan-3-ylamino)benzenesulfonamide

C13H19N3O2S — CID 61230839

IUPAC2-(8-azabicyclo[3.2.1]octan-3-ylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NC1CC2CCC(C1)N2
InChIInChI=1S/C13H19N3O2S/c14-19(17,18)13-4-2-1-3-12(13)16-11-7-9-5-6-10(8-11)15-9/h1-4,9-11,15-16H,5-8H2,(H2,14,17,18)
InChIKeyKCUAZEAPSWMOOI-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.03
Rot. Bonds3

About 2-(8-azabicyclo[3.2.1]octan-3-ylamino)benzenesulfonamide

2-(8-azabicyclo[3.2.1]octan-3-ylamino)benzenesulfonamide (PubChem CID 61230839) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-ylamino)benzenesulfonamide
PubChem CID61230839
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-ylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NC1CC2CCC(C1)N2
InChIInChI=1S/C13H19N3O2S/c14-19(17,18)13-4-2-1-3-12(13)16-11-7-9-5-6-10(8-11)15-9/h1-4,9-11,15-16H,5-8H2,(H2,14,17,18)
InChIKeyKCUAZEAPSWMOOI-UHFFFAOYSA-N
XLogP1.03
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-ylamino)benzenesulfonamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-ylamino)benzenesulfonamide (CID 61230839) is 2-(8-azabicyclo[3.2.1]octan-3-ylamino)benzenesulfonamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-ylamino)benzenesulfonamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-ylamino)benzenesulfonamide is NS(=O)(=O)c1ccccc1NC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-ylamino)benzenesulfonamide?
The InChIKey is KCUAZEAPSWMOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c14-19(17,18)13-4-2-1-3-12(13)16-11-7-9-5-6-10(8-11)15-9/h1-4,9-11,15-16H,5-8H2,(H2,14,17,18).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-ylamino)benzenesulfonamide?
2-(8-azabicyclo[3.2.1]octan-3-ylamino)benzenesulfonamide has a molecular weight of 281.38 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-ylamino)benzenesulfonamide is sourced from PubChem (CID 61230839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).