3,3-dimethyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane

C10H19NO2S — CID 58959842

IUPAC3,3-dimethyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane
SMILESCC1(C)CC2CCC(C1)N2S(C)(=O)=O
InChIInChI=1S/C10H19NO2S/c1-10(2)6-8-4-5-9(7-10)11(8)14(3,12)13/h8-9H,4-7H2,1-3H3
InChIKeyRUNFEWOQILLPJD-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.60
Rot. Bonds1

About 3,3-dimethyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane

3,3-dimethyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane (PubChem CID 58959842) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 3,3-dimethyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3,3-dimethyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane
PubChem CID58959842
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name3,3-dimethyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane
SMILESCC1(C)CC2CCC(C1)N2S(C)(=O)=O
InChIInChI=1S/C10H19NO2S/c1-10(2)6-8-4-5-9(7-10)11(8)14(3,12)13/h8-9H,4-7H2,1-3H3
InChIKeyRUNFEWOQILLPJD-UHFFFAOYSA-N
XLogP1.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3,3-dimethyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane (CID 58959842) is 3,3-dimethyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3,3-dimethyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3,3-dimethyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane is CC1(C)CC2CCC(C1)N2S(C)(=O)=O.
What is the InChIKey of 3,3-dimethyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane?
The InChIKey is RUNFEWOQILLPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-10(2)6-8-4-5-9(7-10)11(8)14(3,12)13/h8-9H,4-7H2,1-3H3.
What are the key properties of 3,3-dimethyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane?
3,3-dimethyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane has a molecular weight of 217.33 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 58959842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).