8-(2-methylsulfonylethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol

C10H19NO5S2 — CID 55236241

IUPAC8-(2-methylsulfonylethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCS(=O)(=O)CCS(=O)(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C10H19NO5S2/c1-17(13,14)4-5-18(15,16)11-8-2-3-9(11)7-10(12)6-8/h8-10,12H,2-7H2,1H3
InChIKeyHNDBBWHPKLQONO-UHFFFAOYSA-N
MW297.40 g/mol
LogP-0.65
Rot. Bonds4

About 8-(2-methylsulfonylethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol

8-(2-methylsulfonylethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 55236241) has the molecular formula C10H19NO5S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 8-(2-methylsulfonylethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(2-methylsulfonylethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID55236241
Molecular FormulaC10H19NO5S2
Molecular Weight297.40 g/mol
Exact Mass297.07
IUPAC Name8-(2-methylsulfonylethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCS(=O)(=O)CCS(=O)(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C10H19NO5S2/c1-17(13,14)4-5-18(15,16)11-8-2-3-9(11)7-10(12)6-8/h8-10,12H,2-7H2,1H3
InChIKeyHNDBBWHPKLQONO-UHFFFAOYSA-N
XLogP-0.65
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(2-methylsulfonylethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

8-(4,4,4-Trifluorobutylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 83059094
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
methanesulfonic acid;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 87433926
Methanesulfonic acid;8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 87433927
(1S,5R)-8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 122663030
2-[1-(1,1-Dioxothiolan-3-yl)sulfonylpiperidin-2-yl]ethanol
CID 54878376
2-[1-(2-Methylsulfonylethylsulfonyl)piperidin-2-yl]ethanol
CID 55175243
8-(Oxolan-2-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 55235089
8-(1,1-Dioxothiolan-3-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 55235090
Methyl 3-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]propanoate
CID 55235666

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylsulfonylethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(2-methylsulfonylethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 55236241) is 8-(2-methylsulfonylethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(2-methylsulfonylethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(2-methylsulfonylethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol is CS(=O)(=O)CCS(=O)(=O)N1C2CCC1CC(O)C2.
What is the InChIKey of 8-(2-methylsulfonylethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is HNDBBWHPKLQONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S2/c1-17(13,14)4-5-18(15,16)11-8-2-3-9(11)7-10(12)6-8/h8-10,12H,2-7H2,1H3.
What are the key properties of 8-(2-methylsulfonylethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(2-methylsulfonylethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 297.40 g/mol, XLogP of -0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylsulfonylethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 55236241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).