8-(2-methoxyethylsulfonyl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane

C13H25NO3S — CID 58414494

IUPAC8-(2-methoxyethylsulfonyl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane
SMILESCOCCS(=O)(=O)N1C2CCC1CC(C(C)C)C2
InChIInChI=1S/C13H25NO3S/c1-10(2)11-8-12-4-5-13(9-11)14(12)18(15,16)7-6-17-3/h10-13H,4-9H2,1-3H3
InChIKeyKUJLHLINNPZKBK-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.86
Rot. Bonds5

About 8-(2-methoxyethylsulfonyl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane

8-(2-methoxyethylsulfonyl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane (PubChem CID 58414494) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is 8-(2-methoxyethylsulfonyl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(2-methoxyethylsulfonyl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane
PubChem CID58414494
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Name8-(2-methoxyethylsulfonyl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane
SMILESCOCCS(=O)(=O)N1C2CCC1CC(C(C)C)C2
InChIInChI=1S/C13H25NO3S/c1-10(2)11-8-12-4-5-13(9-11)14(12)18(15,16)7-6-17-3/h10-13H,4-9H2,1-3H3
InChIKeyKUJLHLINNPZKBK-UHFFFAOYSA-N
XLogP1.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.86
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-propan-2-yl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(2-methoxyethylsulfonyl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane (CID 58414494) is 8-(2-methoxyethylsulfonyl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(2-methoxyethylsulfonyl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(2-methoxyethylsulfonyl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane is COCCS(=O)(=O)N1C2CCC1CC(C(C)C)C2.
What is the InChIKey of 8-(2-methoxyethylsulfonyl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane?
The InChIKey is KUJLHLINNPZKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-10(2)11-8-12-4-5-13(9-11)14(12)18(15,16)7-6-17-3/h10-13H,4-9H2,1-3H3.
What are the key properties of 8-(2-methoxyethylsulfonyl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane?
8-(2-methoxyethylsulfonyl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane has a molecular weight of 275.41 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethylsulfonyl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 58414494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).