3-methyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane

C9H17NO2S — CID 58959836

IUPAC3-methyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane
SMILESCC1CC2CCC(C1)N2S(C)(=O)=O
InChIInChI=1S/C9H17NO2S/c1-7-5-8-3-4-9(6-7)10(8)13(2,11)12/h7-9H,3-6H2,1-2H3
InChIKeyKOCBTROGCUBUOM-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.21
Rot. Bonds1

About 3-methyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane

3-methyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane (PubChem CID 58959836) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 3-methyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-methyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane
PubChem CID58959836
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name3-methyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane
SMILESCC1CC2CCC(C1)N2S(C)(=O)=O
InChIInChI=1S/C9H17NO2S/c1-7-5-8-3-4-9(6-7)10(8)13(2,11)12/h7-9H,3-6H2,1-2H3
InChIKeyKOCBTROGCUBUOM-UHFFFAOYSA-N
XLogP1.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-cyclohexyl-1-methylsulfonylpyrrolidine
CID 95358786
(2S)-2-cyclobutyl-1-methylsulfonylpyrrolidine
CID 96602898
8-(1,1-Difluoroethylsulfonyl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 58414490
3-Methyl-8-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octane
CID 117730413
(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)methanesulfonyl fluoride
CID 171937362
2-(2-Methylpropyl)-1-methylsulfonylpiperidine
CID 46222652
(3R)-3-methyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane
CID 54399094
(2R)-2-(2-methylpropyl)-1-methylsulfonylpyrrolidine
CID 57881304
(1R,5S)-8-methylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 58395041
(1S,5S)-8-cyclopropylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 58414475
8-(2-Methoxyethylsulfonyl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 58414494
3,3-Dimethyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane
CID 58959842

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-methyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane (CID 58959836) is 3-methyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-methyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-methyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane is CC1CC2CCC(C1)N2S(C)(=O)=O.
What is the InChIKey of 3-methyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane?
The InChIKey is KOCBTROGCUBUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-7-5-8-3-4-9(6-7)10(8)13(2,11)12/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-methyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane?
3-methyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane has a molecular weight of 203.31 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 58959836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).