N-methyl-6-methylsulfonylbicyclo[2.2.1]heptan-2-amine

C9H17NO2S — CID 121360865

IUPACN-methyl-6-methylsulfonylbicyclo[2.2.1]heptan-2-amine
SMILESCNC1CC2CC1C(S(C)(=O)=O)C2
InChIInChI=1S/C9H17NO2S/c1-10-8-4-6-3-7(8)9(5-6)13(2,11)12/h6-10H,3-5H2,1-2H3
InChIKeyIOZKSHLXOBOOCY-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.42
Rot. Bonds2

About N-methyl-6-methylsulfonylbicyclo[2.2.1]heptan-2-amine

N-methyl-6-methylsulfonylbicyclo[2.2.1]heptan-2-amine (PubChem CID 121360865) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is N-methyl-6-methylsulfonylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-methyl-6-methylsulfonylbicyclo[2.2.1]heptan-2-amine
PubChem CID121360865
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC NameN-methyl-6-methylsulfonylbicyclo[2.2.1]heptan-2-amine
SMILESCNC1CC2CC1C(S(C)(=O)=O)C2
InChIInChI=1S/C9H17NO2S/c1-10-8-4-6-3-7(8)9(5-6)13(2,11)12/h6-10H,3-5H2,1-2H3
InChIKeyIOZKSHLXOBOOCY-UHFFFAOYSA-N
XLogP0.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-methylsulfonylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-methyl-6-methylsulfonylbicyclo[2.2.1]heptan-2-amine (CID 121360865) is N-methyl-6-methylsulfonylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-methyl-6-methylsulfonylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-methyl-6-methylsulfonylbicyclo[2.2.1]heptan-2-amine is CNC1CC2CC1C(S(C)(=O)=O)C2.
What is the InChIKey of N-methyl-6-methylsulfonylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is IOZKSHLXOBOOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-10-8-4-6-3-7(8)9(5-6)13(2,11)12/h6-10H,3-5H2,1-2H3.
What are the key properties of N-methyl-6-methylsulfonylbicyclo[2.2.1]heptan-2-amine?
N-methyl-6-methylsulfonylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 203.31 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-methylsulfonylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 121360865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).