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

C9H18N2O2S — CID 165463572

IUPAC6-ethylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine
SMILESCCS(=O)(=O)N1CC2CC(N)CC1C2
InChIInChI=1S/C9H18N2O2S/c1-2-14(12,13)11-6-7-3-8(10)5-9(11)4-7/h7-9H,2-6,10H2,1H3
InChIKeyAJNFINPJMGYYHN-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.15
Rot. Bonds2

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

6-ethylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine (PubChem CID 165463572) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 6-ethylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name6-ethylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine
PubChem CID165463572
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name6-ethylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine
SMILESCCS(=O)(=O)N1CC2CC(N)CC1C2
InChIInChI=1S/C9H18N2O2S/c1-2-14(12,13)11-6-7-3-8(10)5-9(11)4-7/h7-9H,2-6,10H2,1H3
InChIKeyAJNFINPJMGYYHN-UHFFFAOYSA-N
XLogP0.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 6-ethylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine (CID 165463572) is 6-ethylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 6-ethylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 6-ethylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine is CCS(=O)(=O)N1CC2CC(N)CC1C2.
What is the InChIKey of 6-ethylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is AJNFINPJMGYYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-2-14(12,13)11-6-7-3-8(10)5-9(11)4-7/h7-9H,2-6,10H2,1H3.
What are the key properties of 6-ethylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine?
6-ethylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 218.32 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfonyl-6-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 165463572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).