9-(2-methyl-2-methylsulfonylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine

C13H26N2O2S — CID 79550721

IUPAC9-(2-methyl-2-methylsulfonylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC(C)(CN1C2CCCC1CC(N)C2)S(C)(=O)=O
InChIInChI=1S/C13H26N2O2S/c1-13(2,18(3,16)17)9-15-11-5-4-6-12(15)8-10(14)7-11/h10-12H,4-9,14H2,1-3H3
InChIKeyVPLZEMAIFTYCBK-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.15
Rot. Bonds3

About 9-(2-methyl-2-methylsulfonylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine

9-(2-methyl-2-methylsulfonylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 79550721) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 9-(2-methyl-2-methylsulfonylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(2-methyl-2-methylsulfonylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID79550721
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name9-(2-methyl-2-methylsulfonylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC(C)(CN1C2CCCC1CC(N)C2)S(C)(=O)=O
InChIInChI=1S/C13H26N2O2S/c1-13(2,18(3,16)17)9-15-11-5-4-6-12(15)8-10(14)7-11/h10-12H,4-9,14H2,1-3H3
InChIKeyVPLZEMAIFTYCBK-UHFFFAOYSA-N
XLogP1.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(2-methyl-2-methylsulfonylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(2-methyl-2-methylsulfonylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 79550721) is 9-(2-methyl-2-methylsulfonylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(2-methyl-2-methylsulfonylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(2-methyl-2-methylsulfonylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine is CC(C)(CN1C2CCCC1CC(N)C2)S(C)(=O)=O.
What is the InChIKey of 9-(2-methyl-2-methylsulfonylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is VPLZEMAIFTYCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-13(2,18(3,16)17)9-15-11-5-4-6-12(15)8-10(14)7-11/h10-12H,4-9,14H2,1-3H3.
What are the key properties of 9-(2-methyl-2-methylsulfonylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine?
9-(2-methyl-2-methylsulfonylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 274.43 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methyl-2-methylsulfonylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 79550721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).