6-methoxy-9lambda6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide

C9H14O3S — CID 556740

IUPAC6-methoxy-9lambda6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide
SMILESCOC1CCC2C=CCC1S2(=O)=O
InChIInChI=1S/C9H14O3S/c1-12-8-6-5-7-3-2-4-9(8)13(7,10)11/h2-3,7-9H,4-6H2,1H3
InChIKeyVFQVPVCUERHZIJ-UHFFFAOYSA-N
MW202.27 g/mol
LogP0.91
Rot. Bonds1

About 6-methoxy-9lambda6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide

6-methoxy-9lambda6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide (PubChem CID 556740) has the molecular formula C9H14O3S and a molecular weight of 202.27 g/mol. Its IUPAC name is 6-methoxy-9lambda6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide.

Molecular Properties

Compound Name6-methoxy-9lambda6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide
PubChem CID556740
Molecular FormulaC9H14O3S
Molecular Weight202.27 g/mol
Exact Mass202.07
IUPAC Name6-methoxy-9lambda6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide
SMILESCOC1CCC2C=CCC1S2(=O)=O
InChIInChI=1S/C9H14O3S/c1-12-8-6-5-7-3-2-4-9(8)13(7,10)11/h2-3,7-9H,4-6H2,1H3
InChIKeyVFQVPVCUERHZIJ-UHFFFAOYSA-N
XLogP0.91
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

9-Thiabicyclo[3.3.1]non-6-en-2-ol 9,9-dioxide
CID 296640
Acetic acid, 9,9-dioxo-9-thiabicyclo[3.3.1]non-6-en-2-yl ester
CID 538026
6-Ethoxy-9-thia-bicyclo[3.3.1]non-2-ene
CID 559168
6-Methoxy-9-thia-bicyclo[3.3.1]non-2-ene
CID 566352
(1S,2R,5S)-9,9-dioxo-9lambda6-thiabicyclo[3.3.1]non-6-en-2-ol
CID 825357
(1R,2S,5R)-9,9-dioxo-9lambda6-thiabicyclo[3.3.1]non-6-en-2-ol
CID 1238818
(1R,2R,5R)-9,9-dioxo-9lambda6-thiabicyclo[3.3.1]non-6-en-2-ol
CID 11878670
(1S,2S,5S)-9,9-dioxo-9lambda6-thiabicyclo[3.3.1]non-6-en-2-ol
CID 16057692
(1S,2S,5R)-9,9-dioxo-9lambda6-thiabicyclo[3.3.1]non-6-en-2-ol
CID 98392682
(1S,2R,5R)-9,9-dioxo-9lambda6-thiabicyclo[3.3.1]non-6-en-2-ol
CID 98392683

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-9lambda6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide?
The IUPAC name of 6-methoxy-9lambda6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide (CID 556740) is 6-methoxy-9lambda6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide.
What is the SMILES notation for 6-methoxy-9lambda6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide?
The canonical SMILES for 6-methoxy-9lambda6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide is COC1CCC2C=CCC1S2(=O)=O.
What is the InChIKey of 6-methoxy-9lambda6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide?
The InChIKey is VFQVPVCUERHZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3S/c1-12-8-6-5-7-3-2-4-9(8)13(7,10)11/h2-3,7-9H,4-6H2,1H3.
What are the key properties of 6-methoxy-9lambda6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide?
6-methoxy-9lambda6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide has a molecular weight of 202.27 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-9lambda6-thiabicyclo[3.3.1]non-2-ene 9,9-dioxide is sourced from PubChem (CID 556740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).