N-methyl-8-(3-methylsulfonylpropyl)-8-azabicyclo[3.2.1]octan-3-amine

C12H24N2O2S — CID 55106812

IUPACN-methyl-8-(3-methylsulfonylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2CCCS(C)(=O)=O
InChIInChI=1S/C12H24N2O2S/c1-13-10-8-11-4-5-12(9-10)14(11)6-3-7-17(2,15)16/h10-13H,3-9H2,1-2H3
InChIKeyGJKVQGKICZMZCQ-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.64
Rot. Bonds5

About N-methyl-8-(3-methylsulfonylpropyl)-8-azabicyclo[3.2.1]octan-3-amine

N-methyl-8-(3-methylsulfonylpropyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 55106812) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-methyl-8-(3-methylsulfonylpropyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-methyl-8-(3-methylsulfonylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID55106812
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-methyl-8-(3-methylsulfonylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2CCCS(C)(=O)=O
InChIInChI=1S/C12H24N2O2S/c1-13-10-8-11-4-5-12(9-10)14(11)6-3-7-17(2,15)16/h10-13H,3-9H2,1-2H3
InChIKeyGJKVQGKICZMZCQ-UHFFFAOYSA-N
XLogP0.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-8-(3-methylsulfonylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-methyl-8-(3-methylsulfonylpropyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 55106812) is N-methyl-8-(3-methylsulfonylpropyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-methyl-8-(3-methylsulfonylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-methyl-8-(3-methylsulfonylpropyl)-8-azabicyclo[3.2.1]octan-3-amine is CNC1CC2CCC(C1)N2CCCS(C)(=O)=O.
What is the InChIKey of N-methyl-8-(3-methylsulfonylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is GJKVQGKICZMZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-13-10-8-11-4-5-12(9-10)14(11)6-3-7-17(2,15)16/h10-13H,3-9H2,1-2H3.
What are the key properties of N-methyl-8-(3-methylsulfonylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
N-methyl-8-(3-methylsulfonylpropyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 260.40 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-(3-methylsulfonylpropyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 55106812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).