1-[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone

C15H19NO3S — CID 71808931

IUPAC1-[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone
SMILESCC(=O)N1C2CCC1CC(S(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C15H19NO3S/c1-11(17)16-12-7-8-13(16)10-15(9-12)20(18,19)14-5-3-2-4-6-14/h2-6,12-13,15H,7-10H2,1H3
InChIKeyAORRNMBOSAUHJG-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.00
Rot. Bonds2

About 1-[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone

1-[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone (PubChem CID 71808931) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone.

Molecular Properties

Compound Name1-[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone
PubChem CID71808931
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name1-[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone
SMILESCC(=O)N1C2CCC1CC(S(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C15H19NO3S/c1-11(17)16-12-7-8-13(16)10-15(9-12)20(18,19)14-5-3-2-4-6-14/h2-6,12-13,15H,7-10H2,1H3
InChIKeyAORRNMBOSAUHJG-UHFFFAOYSA-N
XLogP2.00
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
The IUPAC name of 1-[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone (CID 71808931) is 1-[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone.
What is the SMILES notation for 1-[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
The canonical SMILES for 1-[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone is CC(=O)N1C2CCC1CC(S(=O)(=O)c1ccccc1)C2.
What is the InChIKey of 1-[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
The InChIKey is AORRNMBOSAUHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-11(17)16-12-7-8-13(16)10-15(9-12)20(18,19)14-5-3-2-4-6-14/h2-6,12-13,15H,7-10H2,1H3.
What are the key properties of 1-[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
1-[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone has a molecular weight of 293.39 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone is sourced from PubChem (CID 71808931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).