8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride

C8H17ClN2O2S — CID 54594792

IUPAC8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
SMILESCS(=O)(=O)N1C2CCC1CC(N)C2.Cl
InChIInChI=1S/C8H16N2O2S.ClH/c1-13(11,12)10-7-2-3-8(10)5-6(9)4-7;/h6-8H,2-5,9H2,1H3;1H
InChIKeyOLCNWVNLNNJBOM-UHFFFAOYSA-N
MW240.76 g/mol
LogP0.32
Rot. Bonds1

About 8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride

8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride (PubChem CID 54594792) has the molecular formula C8H17ClN2O2S and a molecular weight of 240.76 g/mol. Its IUPAC name is 8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride.

Molecular Properties

Compound Name8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
PubChem CID54594792
Molecular FormulaC8H17ClN2O2S
Molecular Weight240.76 g/mol
Exact Mass240.07
IUPAC Name8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
SMILESCS(=O)(=O)N1C2CCC1CC(N)C2.Cl
InChIInChI=1S/C8H16N2O2S.ClH/c1-13(11,12)10-7-2-3-8(10)5-6(9)4-7;/h6-8H,2-5,9H2,1H3;1H
InChIKeyOLCNWVNLNNJBOM-UHFFFAOYSA-N
XLogP0.32
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride with MolForge

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Related Compounds

N-[2-(piperidin-2-yl)ethyl]methanesulfonamide
CID 4090533
N-(8-(methylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl)cyclopropanesulfonamide
CID 86265061
N-[2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]ethyl]methanesulfonamide
CID 75431194
8-(Trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61234616
(1R,5S)-2-fluoro-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine
CID 177909597
(2R,3S)-2-fluoro-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine
CID 178429972
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1-difluoromethanesulfonamide
CID 61230450
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,1-difluoromethanesulfonamide
CID 61230578
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,1,1-trifluoromethanesulfonamide
CID 61230580
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1-difluoro-N-propylmethanesulfonamide
CID 61230768
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1,1-trifluoro-N-methylmethanesulfonamide
CID 61232025
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1,1-trifluoro-N-propylmethanesulfonamide
CID 61232107

Frequently Asked Questions

What is the IUPAC name of 8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride?
The IUPAC name of 8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride (CID 54594792) is 8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride.
What is the SMILES notation for 8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride?
The canonical SMILES for 8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride is CS(=O)(=O)N1C2CCC1CC(N)C2.Cl.
What is the InChIKey of 8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride?
The InChIKey is OLCNWVNLNNJBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S.ClH/c1-13(11,12)10-7-2-3-8(10)5-6(9)4-7;/h6-8H,2-5,9H2,1H3;1H.
What are the key properties of 8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride?
8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride has a molecular weight of 240.76 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride is sourced from PubChem (CID 54594792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).