3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonane-7,9-diol

C8H14O4S — CID 115024694

IUPAC3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonane-7,9-diol
SMILESO=S1(=O)CC2CC(O)CC(C1)C2O
InChIInChI=1S/C8H14O4S/c9-7-1-5-3-13(11,12)4-6(2-7)8(5)10/h5-10H,1-4H2
InChIKeyAWRODGOAKVECAK-UHFFFAOYSA-N
MW206.26 g/mol
LogP-0.84
Rot. Bonds

About 3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonane-7,9-diol

3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonane-7,9-diol (PubChem CID 115024694) has the molecular formula C8H14O4S and a molecular weight of 206.26 g/mol. Its IUPAC name is 3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonane-7,9-diol.

Molecular Properties

Compound Name3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonane-7,9-diol
PubChem CID115024694
Molecular FormulaC8H14O4S
Molecular Weight206.26 g/mol
Exact Mass206.06
IUPAC Name3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonane-7,9-diol
SMILESO=S1(=O)CC2CC(O)CC(C1)C2O
InChIInChI=1S/C8H14O4S/c9-7-1-5-3-13(11,12)4-6(2-7)8(5)10/h5-10H,1-4H2
InChIKeyAWRODGOAKVECAK-UHFFFAOYSA-N
XLogP-0.84
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonane-7,9-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-Fluoro-7-methyl-3,3-dioxo-3lambda6-thiabicyclo[3.3.1]nonan-9-ol
CID 115033318
7,7-Difluoro-3,3-dioxo-3lambda6-thiabicyclo[3.3.1]nonan-9-ol
CID 115035491
3-Thiabicyclo[3.3.1]nonane-7,9-diol
CID 115014386
3,3-Dioxo-3lambda6-thiabicyclo[3.3.1]nonan-9-ol
CID 115018281
7-Methyl-3,3-dioxo-3lambda6-thiabicyclo[3.3.1]nonan-9-ol
CID 115023658
9-(Hydroxymethyl)-3,3-dioxo-3lambda6-thiabicyclo[3.3.1]nonan-7-ol
CID 115032119

Frequently Asked Questions

What is the IUPAC name of 3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonane-7,9-diol?
The IUPAC name of 3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonane-7,9-diol (CID 115024694) is 3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonane-7,9-diol.
What is the SMILES notation for 3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonane-7,9-diol?
The canonical SMILES for 3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonane-7,9-diol is O=S1(=O)CC2CC(O)CC(C1)C2O.
What is the InChIKey of 3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonane-7,9-diol?
The InChIKey is AWRODGOAKVECAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4S/c9-7-1-5-3-13(11,12)4-6(2-7)8(5)10/h5-10H,1-4H2.
What are the key properties of 3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonane-7,9-diol?
3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonane-7,9-diol has a molecular weight of 206.26 g/mol, XLogP of -0.84, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonane-7,9-diol is sourced from PubChem (CID 115024694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).