8-(2-ethoxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine

C11H22N2O3S — CID 63246896

IUPAC8-(2-ethoxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCOCCS(=O)(=O)N1C2CCC1CC(N)C2
InChIInChI=1S/C11H22N2O3S/c1-2-16-5-6-17(14,15)13-10-3-4-11(13)8-9(12)7-10/h9-11H,2-8,12H2,1H3
InChIKeyYVKKYUYPLNGKTF-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.31
Rot. Bonds5

About 8-(2-ethoxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine

8-(2-ethoxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 63246896) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 8-(2-ethoxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(2-ethoxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID63246896
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name8-(2-ethoxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCOCCS(=O)(=O)N1C2CCC1CC(N)C2
InChIInChI=1S/C11H22N2O3S/c1-2-16-5-6-17(14,15)13-10-3-4-11(13)8-9(12)7-10/h9-11H,2-8,12H2,1H3
InChIKeyYVKKYUYPLNGKTF-UHFFFAOYSA-N
XLogP0.31
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(2-ethoxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(2-ethoxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 63246896) is 8-(2-ethoxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(2-ethoxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(2-ethoxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine is CCOCCS(=O)(=O)N1C2CCC1CC(N)C2.
What is the InChIKey of 8-(2-ethoxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is YVKKYUYPLNGKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-2-16-5-6-17(14,15)13-10-3-4-11(13)8-9(12)7-10/h9-11H,2-8,12H2,1H3.
What are the key properties of 8-(2-ethoxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(2-ethoxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 262.37 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-ethoxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 63246896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).