8-cyclohexylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol

C13H23NO3S — CID 63763514

IUPAC8-cyclohexylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESO=S(=O)(C1CCCCC1)N1C2CCC1CC(O)C2
InChIInChI=1S/C13H23NO3S/c15-12-8-10-6-7-11(9-12)14(10)18(16,17)13-4-2-1-3-5-13/h10-13,15H,1-9H2
InChIKeyLJHLSMCRUKYXPL-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.64
Rot. Bonds2

About 8-cyclohexylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol

8-cyclohexylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63763514) has the molecular formula C13H23NO3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 8-cyclohexylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-cyclohexylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63763514
Molecular FormulaC13H23NO3S
Molecular Weight273.40 g/mol
Exact Mass273.14
IUPAC Name8-cyclohexylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESO=S(=O)(C1CCCCC1)N1C2CCC1CC(O)C2
InChIInChI=1S/C13H23NO3S/c15-12-8-10-6-7-11(9-12)14(10)18(16,17)13-4-2-1-3-5-13/h10-13,15H,1-9H2
InChIKeyLJHLSMCRUKYXPL-UHFFFAOYSA-N
XLogP1.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-cyclohexylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-cyclohexylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol (CID 63763514) is 8-cyclohexylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-cyclohexylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-cyclohexylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol is O=S(=O)(C1CCCCC1)N1C2CCC1CC(O)C2.
What is the InChIKey of 8-cyclohexylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is LJHLSMCRUKYXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3S/c15-12-8-10-6-7-11(9-12)14(10)18(16,17)13-4-2-1-3-5-13/h10-13,15H,1-9H2.
What are the key properties of 8-cyclohexylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
8-cyclohexylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 273.40 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63763514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).