(1R,2S,5S,6R)-9-thiabicyclo[3.3.1]nonane-2,6-diol

C8H14O2S — CID 98538775

IUPAC(1R,2S,5S,6R)-9-thiabicyclo[3.3.1]nonane-2,6-diol
SMILESO[C@@H]1CC[C@H]2S[C@H]1CC[C@@H]2O
InChIInChI=1S/C8H14O2S/c9-5-1-3-7-6(10)2-4-8(5)11-7/h5-10H,1-4H2/t5-,6+,7-,8+
InChIKeyYWPNTOFLNJJRGE-KVFPUHGPSA-N
MW174.26 g/mol
LogP0.77
Rot. Bonds

About (1R,2S,5S,6R)-9-thiabicyclo[3.3.1]nonane-2,6-diol

(1R,2S,5S,6R)-9-thiabicyclo[3.3.1]nonane-2,6-diol (PubChem CID 98538775) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is (1R,2S,5S,6R)-9-thiabicyclo[3.3.1]nonane-2,6-diol.

Molecular Properties

Compound Name(1R,2S,5S,6R)-9-thiabicyclo[3.3.1]nonane-2,6-diol
PubChem CID98538775
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name(1R,2S,5S,6R)-9-thiabicyclo[3.3.1]nonane-2,6-diol
SMILESO[C@@H]1CC[C@H]2S[C@H]1CC[C@@H]2O
InChIInChI=1S/C8H14O2S/c9-5-1-3-7-6(10)2-4-8(5)11-7/h5-10H,1-4H2/t5-,6+,7-,8+
InChIKeyYWPNTOFLNJJRGE-KVFPUHGPSA-N
XLogP0.77
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,2S,5S,6R)-9-thiabicyclo[3.3.1]nonane-2,6-diol with MolForge

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Related Compounds

9-Thiabicyclo[3.3.1]nonane-2,6-diol
CID 329425
3E-Hydroxy-9-thiabicyclo[3.3.1]nonane
CID 594008
9-Thiabicyclo[3.3.1]nonan-2-ol 9,9-dioxide
CID 24209210
2,6-Dideuteriooxy-9-thiabicyclo[3.3.1]nonane
CID 140841121
(1S,5R)-9-thiabicyclo[3.3.1]nonan-3-ol
CID 12439578
(1S,2S,5R)-9,9-dioxo-9lambda6-thiabicyclo[3.3.1]nonan-2-ol
CID 21678142
(1S,2R,5R)-9,9-dioxo-9lambda6-thiabicyclo[3.3.1]nonan-2-ol
CID 21678143
(1S,2S,5S,6R)-9-thiabicyclo[3.3.1]nonane-2,6-diol
CID 92146091
(1S,2R,5S,6R)-9-thiabicyclo[3.3.1]nonane-2,6-diol
CID 92271007
(1R,2S,5S)-9,9-dioxo-9lambda6-thiabicyclo[3.3.1]nonan-2-ol
CID 93982292
(1R,2R,5S)-9,9-dioxo-9lambda6-thiabicyclo[3.3.1]nonan-2-ol
CID 93982293
(1R,2R,5R)-9,9-dioxo-9lambda6-thiabicyclo[3.3.1]nonan-2-ol
CID 98158959

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S,6R)-9-thiabicyclo[3.3.1]nonane-2,6-diol?
The IUPAC name of (1R,2S,5S,6R)-9-thiabicyclo[3.3.1]nonane-2,6-diol (CID 98538775) is (1R,2S,5S,6R)-9-thiabicyclo[3.3.1]nonane-2,6-diol.
What is the SMILES notation for (1R,2S,5S,6R)-9-thiabicyclo[3.3.1]nonane-2,6-diol?
The canonical SMILES for (1R,2S,5S,6R)-9-thiabicyclo[3.3.1]nonane-2,6-diol is O[C@@H]1CC[C@H]2S[C@H]1CC[C@@H]2O.
What is the InChIKey of (1R,2S,5S,6R)-9-thiabicyclo[3.3.1]nonane-2,6-diol?
The InChIKey is YWPNTOFLNJJRGE-KVFPUHGPSA-N. The full InChI is InChI=1S/C8H14O2S/c9-5-1-3-7-6(10)2-4-8(5)11-7/h5-10H,1-4H2/t5-,6+,7-,8+.
What are the key properties of (1R,2S,5S,6R)-9-thiabicyclo[3.3.1]nonane-2,6-diol?
(1R,2S,5S,6R)-9-thiabicyclo[3.3.1]nonane-2,6-diol has a molecular weight of 174.26 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S,6R)-9-thiabicyclo[3.3.1]nonane-2,6-diol is sourced from PubChem (CID 98538775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).