8-(2-methoxyethylsulfonyl)-3,3-dimethyl-8-azabicyclo[3.2.1]octane

C12H23NO3S — CID 163974170

IUPAC8-(2-methoxyethylsulfonyl)-3,3-dimethyl-8-azabicyclo[3.2.1]octane
SMILESCOCCS(=O)(=O)N1C2CCC1CC(C)(C)C2
InChIInChI=1S/C12H23NO3S/c1-12(2)8-10-4-5-11(9-12)13(10)17(14,15)7-6-16-3/h10-11H,4-9H2,1-3H3
InChIKeySSPPGALAKQTZTL-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.62
Rot. Bonds4

About 8-(2-methoxyethylsulfonyl)-3,3-dimethyl-8-azabicyclo[3.2.1]octane

8-(2-methoxyethylsulfonyl)-3,3-dimethyl-8-azabicyclo[3.2.1]octane (PubChem CID 163974170) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 8-(2-methoxyethylsulfonyl)-3,3-dimethyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(2-methoxyethylsulfonyl)-3,3-dimethyl-8-azabicyclo[3.2.1]octane
PubChem CID163974170
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name8-(2-methoxyethylsulfonyl)-3,3-dimethyl-8-azabicyclo[3.2.1]octane
SMILESCOCCS(=O)(=O)N1C2CCC1CC(C)(C)C2
InChIInChI=1S/C12H23NO3S/c1-12(2)8-10-4-5-11(9-12)13(10)17(14,15)7-6-16-3/h10-11H,4-9H2,1-3H3
InChIKeySSPPGALAKQTZTL-UHFFFAOYSA-N
XLogP1.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethylsulfonyl)-3,3-dimethyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(2-methoxyethylsulfonyl)-3,3-dimethyl-8-azabicyclo[3.2.1]octane (CID 163974170) is 8-(2-methoxyethylsulfonyl)-3,3-dimethyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(2-methoxyethylsulfonyl)-3,3-dimethyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(2-methoxyethylsulfonyl)-3,3-dimethyl-8-azabicyclo[3.2.1]octane is COCCS(=O)(=O)N1C2CCC1CC(C)(C)C2.
What is the InChIKey of 8-(2-methoxyethylsulfonyl)-3,3-dimethyl-8-azabicyclo[3.2.1]octane?
The InChIKey is SSPPGALAKQTZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-12(2)8-10-4-5-11(9-12)13(10)17(14,15)7-6-16-3/h10-11H,4-9H2,1-3H3.
What are the key properties of 8-(2-methoxyethylsulfonyl)-3,3-dimethyl-8-azabicyclo[3.2.1]octane?
8-(2-methoxyethylsulfonyl)-3,3-dimethyl-8-azabicyclo[3.2.1]octane has a molecular weight of 261.39 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethylsulfonyl)-3,3-dimethyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 163974170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).