6-methyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane

C8H15NO2S — CID 90179056

IUPAC6-methyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane
SMILESCC1CC2CC1N(S(C)(=O)=O)C2
InChIInChI=1S/C8H15NO2S/c1-6-3-7-4-8(6)9(5-7)12(2,10)11/h6-8H,3-5H2,1-2H3
InChIKeyFIKZTJBOFSFNBR-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.68
Rot. Bonds1

About 6-methyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane

6-methyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane (PubChem CID 90179056) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 6-methyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name6-methyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane
PubChem CID90179056
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name6-methyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane
SMILESCC1CC2CC1N(S(C)(=O)=O)C2
InChIInChI=1S/C8H15NO2S/c1-6-3-7-4-8(6)9(5-7)12(2,10)11/h6-8H,3-5H2,1-2H3
InChIKeyFIKZTJBOFSFNBR-UHFFFAOYSA-N
XLogP0.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-methyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane
CID 54399094
6-Tert-butyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane
CID 57911338
2-Methylsulfonyl-2-azabicyclo[2.2.1]heptane
CID 61059258
6-Ethyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane
CID 70962984
5-Ethyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane
CID 90179055
5-Methyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane
CID 90179057
2-Methyl-5-methylsulfonyl-5-azabicyclo[2.1.1]hexane
CID 90309930
2-(2-Methylpropylsulfonyl)-2-azabicyclo[2.2.1]heptane
CID 118931504
Methane;methylcyclopentane;2-methyl-1-methylsulfonylpyrrolidine
CID 158785709
Methylcyclopentane;2-methyl-1-methylsulfonylpyrrolidine
CID 158926243
(1S,4S,5R)-2-methylsulfonyl-5-propan-2-yl-2-azabicyclo[2.2.1]heptane
CID 171466168
(1R,4R,5S)-2-methylsulfonyl-5-propan-2-yl-2-azabicyclo[2.2.1]heptane
CID 171466175

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 6-methyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane (CID 90179056) is 6-methyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 6-methyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 6-methyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane is CC1CC2CC1N(S(C)(=O)=O)C2.
What is the InChIKey of 6-methyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane?
The InChIKey is FIKZTJBOFSFNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-6-3-7-4-8(6)9(5-7)12(2,10)11/h6-8H,3-5H2,1-2H3.
What are the key properties of 6-methyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane?
6-methyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane has a molecular weight of 189.28 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylsulfonyl-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 90179056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).