6-methyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-one

C9H15NO3S — CID 59268856

IUPAC6-methyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-one
SMILESCC1CC2CC(=O)CC1N2S(C)(=O)=O
InChIInChI=1S/C9H15NO3S/c1-6-3-7-4-8(11)5-9(6)10(7)14(2,12)13/h6-7,9H,3-5H2,1-2H3
InChIKeyDYXLSIZVHBYBIH-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.39
Rot. Bonds1

About 6-methyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-one

6-methyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 59268856) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is 6-methyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name6-methyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-one
PubChem CID59268856
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name6-methyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-one
SMILESCC1CC2CC(=O)CC1N2S(C)(=O)=O
InChIInChI=1S/C9H15NO3S/c1-6-3-7-4-8(11)5-9(6)10(7)14(2,12)13/h6-7,9H,3-5H2,1-2H3
InChIKeyDYXLSIZVHBYBIH-UHFFFAOYSA-N
XLogP0.39
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-methyl-1-methylsulfonylazetidin-2-one
CID 14061022
9-(3,4-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 64743890
(6R)-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 45357850
9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 114541275
9-methyl-3-selena-9-azabicyclo[3.3.1]nonan-7-one
CID 24846034
9-(2,3-dimethylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 64921492
(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 6338849
(1R,6S)-7-methylsulfonyl-7-azabicyclo[4.1.0]hept-3-ene
CID 90482115
8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 63764039
1-(2-aminocyclopropyl)-4-methylpiperidine-2,6-dione
CID 62934336
(1R,2R,5R,6R)-10-methyl-10-azatricyclo[4.3.1.12,5]undecan-8-one
CID 98156442
(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 66778131

Frequently Asked Questions

What is the IUPAC name of 6-methyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 6-methyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-one (CID 59268856) is 6-methyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 6-methyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 6-methyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-one is CC1CC2CC(=O)CC1N2S(C)(=O)=O.
What is the InChIKey of 6-methyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is DYXLSIZVHBYBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-6-3-7-4-8(11)5-9(6)10(7)14(2,12)13/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 6-methyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-one?
6-methyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 217.29 g/mol, XLogP of 0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 59268856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).