8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol

C10H19NO3S — CID 63764557

IUPAC8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)S(=O)(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C10H19NO3S/c1-7(2)15(13,14)11-8-3-4-9(11)6-10(12)5-8/h7-10,12H,3-6H2,1-2H3
InChIKeyUDKLMOOQUXRSDC-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.71
Rot. Bonds2

About 8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol

8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63764557) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63764557
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)S(=O)(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C10H19NO3S/c1-7(2)15(13,14)11-8-3-4-9(11)6-10(12)5-8/h7-10,12H,3-6H2,1-2H3
InChIKeyUDKLMOOQUXRSDC-UHFFFAOYSA-N
XLogP0.71
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol (CID 63764557) is 8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol is CC(C)S(=O)(=O)N1C2CCC1CC(O)C2.
What is the InChIKey of 8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is UDKLMOOQUXRSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-7(2)15(13,14)11-8-3-4-9(11)6-10(12)5-8/h7-10,12H,3-6H2,1-2H3.
What are the key properties of 8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 233.33 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63764557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).