(1S,5R)-8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol

C10H19NO3S — CID 122663030

IUPAC(1S,5R)-8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)S(=O)(=O)N1[C@@H]2CC[C@H]1CC(O)C2
InChIInChI=1S/C10H19NO3S/c1-7(2)15(13,14)11-8-3-4-9(11)6-10(12)5-8/h7-10,12H,3-6H2,1-2H3/t8-,9+,10?
InChIKeyUDKLMOOQUXRSDC-ULKQDVFKSA-N
MW233.33 g/mol
LogP0.71
Rot. Bonds2

About (1S,5R)-8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol

(1S,5R)-8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 122663030) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is (1S,5R)-8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1S,5R)-8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID122663030
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name(1S,5R)-8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)S(=O)(=O)N1[C@@H]2CC[C@H]1CC(O)C2
InChIInChI=1S/C10H19NO3S/c1-7(2)15(13,14)11-8-3-4-9(11)6-10(12)5-8/h7-10,12H,3-6H2,1-2H3/t8-,9+,10?
InChIKeyUDKLMOOQUXRSDC-ULKQDVFKSA-N
XLogP0.71
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.71
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 (1S,5R)-8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1S,5R)-8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol (CID 122663030) is (1S,5R)-8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1S,5R)-8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1S,5R)-8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol is CC(C)S(=O)(=O)N1[C@@H]2CC[C@H]1CC(O)C2.
What is the InChIKey of (1S,5R)-8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is UDKLMOOQUXRSDC-ULKQDVFKSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-7(2)15(13,14)11-8-3-4-9(11)6-10(12)5-8/h7-10,12H,3-6H2,1-2H3/t8-,9+,10?.
What are the key properties of (1S,5R)-8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
(1S,5R)-8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 233.33 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 122663030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).