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

C9H17NO3S — CID 63763691

IUPAC8-ethylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCS(=O)(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C9H17NO3S/c1-2-14(12,13)10-7-3-4-8(10)6-9(11)5-7/h7-9,11H,2-6H2,1H3
InChIKeyWIAMUHXBIOWESF-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.32
Rot. Bonds2

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

8-ethylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63763691) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 8-ethylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-ethylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63763691
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name8-ethylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCS(=O)(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C9H17NO3S/c1-2-14(12,13)10-7-3-4-8(10)6-9(11)5-7/h7-9,11H,2-6H2,1H3
InChIKeyWIAMUHXBIOWESF-UHFFFAOYSA-N
XLogP0.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tropine 3-mesylate
CID 16125705
8-Azabicyclo(3.2.1)octan-3-ol, 8-methyl-, 3-methanesulfonate
CID 141951
8-(Trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63763689
8-(Difluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63764382
8-(4,4,4-Trifluorobutylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 83059094
1-[1-(4,4,4-Trifluorobutylsulfonyl)pyrrolidin-2-yl]propan-2-ol
CID 83059717
1-[1-(4,4,4-Trifluorobutylsulfonyl)piperidin-2-yl]propan-2-ol
CID 83059849
8-Methylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 63764039
8-Propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 63764557
(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 66778131
(8-Propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl) methanesulfonate
CID 85361455
[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] methanesulfonate
CID 87388854

Frequently Asked Questions

What is the IUPAC name of 8-ethylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-ethylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol (CID 63763691) is 8-ethylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-ethylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-ethylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol is CCS(=O)(=O)N1C2CCC1CC(O)C2.
What is the InChIKey of 8-ethylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is WIAMUHXBIOWESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-2-14(12,13)10-7-3-4-8(10)6-9(11)5-7/h7-9,11H,2-6H2,1H3.
What are the key properties of 8-ethylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
8-ethylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 219.31 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63763691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).