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

C12H24N2O3S — CID 79594229

IUPAC8-(2-propan-2-yloxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(C)OCCS(=O)(=O)N1C2CCC1CC(N)C2
InChIInChI=1S/C12H24N2O3S/c1-9(2)17-5-6-18(15,16)14-11-3-4-12(14)8-10(13)7-11/h9-12H,3-8,13H2,1-2H3
InChIKeyFNTWZNNEEJKPPV-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.70
Rot. Bonds5

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

8-(2-propan-2-yloxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 79594229) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 8-(2-propan-2-yloxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(2-propan-2-yloxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID79594229
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name8-(2-propan-2-yloxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(C)OCCS(=O)(=O)N1C2CCC1CC(N)C2
InChIInChI=1S/C12H24N2O3S/c1-9(2)17-5-6-18(15,16)14-11-3-4-12(14)8-10(13)7-11/h9-12H,3-8,13H2,1-2H3
InChIKeyFNTWZNNEEJKPPV-UHFFFAOYSA-N
XLogP0.70
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-propan-2-yloxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(2-propan-2-yloxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 79594229) is 8-(2-propan-2-yloxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(2-propan-2-yloxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(2-propan-2-yloxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine is CC(C)OCCS(=O)(=O)N1C2CCC1CC(N)C2.
What is the InChIKey of 8-(2-propan-2-yloxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is FNTWZNNEEJKPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-9(2)17-5-6-18(15,16)14-11-3-4-12(14)8-10(13)7-11/h9-12H,3-8,13H2,1-2H3.
What are the key properties of 8-(2-propan-2-yloxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(2-propan-2-yloxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 276.40 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-propan-2-yloxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 79594229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).