8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol

C16H23NO3S — CID 63763526

IUPAC8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1cc(C)c(S(=O)(=O)N2C3CCC2CC(O)C3)c(C)c1
InChIInChI=1S/C16H23NO3S/c1-10-6-11(2)16(12(3)7-10)21(19,20)17-13-4-5-14(17)9-15(18)8-13/h6-7,13-15,18H,4-5,8-9H2,1-3H3
InChIKeyULWIZAIMBNVEBZ-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.29
Rot. Bonds2

About 8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol

8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63763526) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63763526
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1cc(C)c(S(=O)(=O)N2C3CCC2CC(O)C3)c(C)c1
InChIInChI=1S/C16H23NO3S/c1-10-6-11(2)16(12(3)7-10)21(19,20)17-13-4-5-14(17)9-15(18)8-13/h6-7,13-15,18H,4-5,8-9H2,1-3H3
InChIKeyULWIZAIMBNVEBZ-UHFFFAOYSA-N
XLogP2.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

4-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-ol
CID 103896846
8-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63764411
3-pyridin-2-yloxy-8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 121195689
(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 66778131
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 63764733
8-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 103847919
(1R,5S)-8-(4-tert-butylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 46880557
8-(3-chlorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 63764575
8-(3-amino-4-ethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 63763074
1-(4-hydroxy-2,6-dimethylphenyl)sulfonylpiperidin-4-ol
CID 91759163
3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]-1-azabicyclo[3.2.2]nonane
CID 146292817
3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]-1,3-diazabicyclo[2.2.2]octane
CID 118314239

Frequently Asked Questions

What is the IUPAC name of 8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol (CID 63763526) is 8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol is Cc1cc(C)c(S(=O)(=O)N2C3CCC2CC(O)C3)c(C)c1.
What is the InChIKey of 8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is ULWIZAIMBNVEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-10-6-11(2)16(12(3)7-10)21(19,20)17-13-4-5-14(17)9-15(18)8-13/h6-7,13-15,18H,4-5,8-9H2,1-3H3.
What are the key properties of 8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 309.43 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63763526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).