8-ethylsulfonyl-3,8-diazabicyclo[3.2.1]octane

C8H16N2O2S — CID 66744616

IUPAC8-ethylsulfonyl-3,8-diazabicyclo[3.2.1]octane
SMILESCCS(=O)(=O)N1C2CCC1CNC2
InChIInChI=1S/C8H16N2O2S/c1-2-13(11,12)10-7-3-4-8(10)6-9-5-7/h7-9H,2-6H2,1H3
InChIKeyQGAIOZJXCRFFDK-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.23
Rot. Bonds2

About 8-ethylsulfonyl-3,8-diazabicyclo[3.2.1]octane

8-ethylsulfonyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 66744616) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 8-ethylsulfonyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-ethylsulfonyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID66744616
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name8-ethylsulfonyl-3,8-diazabicyclo[3.2.1]octane
SMILESCCS(=O)(=O)N1C2CCC1CNC2
InChIInChI=1S/C8H16N2O2S/c1-2-13(11,12)10-7-3-4-8(10)6-9-5-7/h7-9H,2-6H2,1H3
InChIKeyQGAIOZJXCRFFDK-UHFFFAOYSA-N
XLogP-0.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethylsulfonyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-ethylsulfonyl-3,8-diazabicyclo[3.2.1]octane (CID 66744616) is 8-ethylsulfonyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-ethylsulfonyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-ethylsulfonyl-3,8-diazabicyclo[3.2.1]octane is CCS(=O)(=O)N1C2CCC1CNC2.
What is the InChIKey of 8-ethylsulfonyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is QGAIOZJXCRFFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-2-13(11,12)10-7-3-4-8(10)6-9-5-7/h7-9H,2-6H2,1H3.
What are the key properties of 8-ethylsulfonyl-3,8-diazabicyclo[3.2.1]octane?
8-ethylsulfonyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 204.29 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethylsulfonyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 66744616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).