8-(4-ethylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol

C15H21NO3S — CID 63762637

IUPAC8-(4-ethylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCS(=O)(=O)c1ccc(N2C3CCC2CC(O)C3)cc1
InChIInChI=1S/C15H21NO3S/c1-2-20(18,19)15-7-5-11(6-8-15)16-12-3-4-13(16)10-14(17)9-12/h5-8,12-14,17H,2-4,9-10H2,1H3
InChIKeyNRPPZRVEJSIUNT-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.97
Rot. Bonds3

About 8-(4-ethylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol

8-(4-ethylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63762637) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 8-(4-ethylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(4-ethylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63762637
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name8-(4-ethylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCS(=O)(=O)c1ccc(N2C3CCC2CC(O)C3)cc1
InChIInChI=1S/C15H21NO3S/c1-2-20(18,19)15-7-5-11(6-8-15)16-12-3-4-13(16)10-14(17)9-12/h5-8,12-14,17H,2-4,9-10H2,1H3
InChIKeyNRPPZRVEJSIUNT-UHFFFAOYSA-N
XLogP1.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4-ethylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(4-ethylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 63762637) is 8-(4-ethylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(4-ethylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(4-ethylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol is CCS(=O)(=O)c1ccc(N2C3CCC2CC(O)C3)cc1.
What is the InChIKey of 8-(4-ethylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is NRPPZRVEJSIUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-2-20(18,19)15-7-5-11(6-8-15)16-12-3-4-13(16)10-14(17)9-12/h5-8,12-14,17H,2-4,9-10H2,1H3.
What are the key properties of 8-(4-ethylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(4-ethylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 295.40 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-ethylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63762637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).