1,2,3,8-tetramethyl-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide

C11H18O3S — CID 58165554

IUPAC1,2,3,8-tetramethyl-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide
SMILESCC1C2C3CC1(C)C(C)C2(C)OS3(=O)=O
InChIInChI=1S/C11H18O3S/c1-6-9-8-5-10(6,3)7(2)11(9,4)14-15(8,12)13/h6-9H,5H2,1-4H3
InChIKeyPZZMDLJIMBDOEW-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.79
Rot. Bonds

About 1,2,3,8-tetramethyl-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide

1,2,3,8-tetramethyl-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide (PubChem CID 58165554) has the molecular formula C11H18O3S and a molecular weight of 230.33 g/mol. Its IUPAC name is 1,2,3,8-tetramethyl-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide.

Molecular Properties

Compound Name1,2,3,8-tetramethyl-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide
PubChem CID58165554
Molecular FormulaC11H18O3S
Molecular Weight230.33 g/mol
Exact Mass230.10
IUPAC Name1,2,3,8-tetramethyl-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide
SMILESCC1C2C3CC1(C)C(C)C2(C)OS3(=O)=O
InChIInChI=1S/C11H18O3S/c1-6-9-8-5-10(6,3)7(2)11(9,4)14-15(8,12)13/h6-9H,5H2,1-4H3
InChIKeyPZZMDLJIMBDOEW-UHFFFAOYSA-N
XLogP1.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 1,2,3,8-tetramethyl-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,8-tetramethyl-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide?
The IUPAC name of 1,2,3,8-tetramethyl-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide (CID 58165554) is 1,2,3,8-tetramethyl-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide.
What is the SMILES notation for 1,2,3,8-tetramethyl-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide?
The canonical SMILES for 1,2,3,8-tetramethyl-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide is CC1C2C3CC1(C)C(C)C2(C)OS3(=O)=O.
What is the InChIKey of 1,2,3,8-tetramethyl-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide?
The InChIKey is PZZMDLJIMBDOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3S/c1-6-9-8-5-10(6,3)7(2)11(9,4)14-15(8,12)13/h6-9H,5H2,1-4H3.
What are the key properties of 1,2,3,8-tetramethyl-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide?
1,2,3,8-tetramethyl-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide has a molecular weight of 230.33 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,8-tetramethyl-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide is sourced from PubChem (CID 58165554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).