6-methylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine

C8H16N2O2S — CID 165469235

IUPAC6-methylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine
SMILESCS(=O)(=O)N1CC2CC(N)CC1C2
InChIInChI=1S/C8H16N2O2S/c1-13(11,12)10-5-6-2-7(9)4-8(10)3-6/h6-8H,2-5,9H2,1H3
InChIKeyWPKMUXPNTWENCB-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.24
Rot. Bonds1

About 6-methylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine

6-methylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine (PubChem CID 165469235) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 6-methylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name6-methylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine
PubChem CID165469235
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name6-methylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine
SMILESCS(=O)(=O)N1CC2CC(N)CC1C2
InChIInChI=1S/C8H16N2O2S/c1-13(11,12)10-5-6-2-7(9)4-8(10)3-6/h6-8H,2-5,9H2,1H3
InChIKeyWPKMUXPNTWENCB-UHFFFAOYSA-N
XLogP-0.24
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 6-methylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine (CID 165469235) is 6-methylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 6-methylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 6-methylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine is CS(=O)(=O)N1CC2CC(N)CC1C2.
What is the InChIKey of 6-methylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is WPKMUXPNTWENCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-13(11,12)10-5-6-2-7(9)4-8(10)3-6/h6-8H,2-5,9H2,1H3.
What are the key properties of 6-methylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine?
6-methylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 204.29 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 165469235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).