(3R,7R)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide

C6H8O4S — CID 153265899

IUPAC(3R,7R)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide
SMILESO=S1(=O)O[C@@H]2CC3CC1[C@@H]2O3
InChIInChI=1S/C6H8O4S/c7-11(8)5-2-3-1-4(10-11)6(5)9-3/h3-6H,1-2H2/t3?,4-,5?,6-/m1/s1
InChIKeyWWDYQGSRUOOUPI-MUTXJXMQSA-N
MW176.19 g/mol
LogP-0.36
Rot. Bonds

About (3R,7R)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide

(3R,7R)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide (PubChem CID 153265899) has the molecular formula C6H8O4S and a molecular weight of 176.19 g/mol. Its IUPAC name is (3R,7R)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide.

Molecular Properties

Compound Name(3R,7R)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide
PubChem CID153265899
Molecular FormulaC6H8O4S
Molecular Weight176.19 g/mol
Exact Mass176.01
IUPAC Name(3R,7R)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide
SMILESO=S1(=O)O[C@@H]2CC3CC1[C@@H]2O3
InChIInChI=1S/C6H8O4S/c7-11(8)5-2-3-1-4(10-11)6(5)9-3/h3-6H,1-2H2/t3?,4-,5?,6-/m1/s1
InChIKeyWWDYQGSRUOOUPI-MUTXJXMQSA-N
XLogP-0.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R,7R)-4,8-dioxa-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 (3R,7R)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide?
The IUPAC name of (3R,7R)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide (CID 153265899) is (3R,7R)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide.
What is the SMILES notation for (3R,7R)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide?
The canonical SMILES for (3R,7R)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide is O=S1(=O)O[C@@H]2CC3CC1[C@@H]2O3.
What is the InChIKey of (3R,7R)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide?
The InChIKey is WWDYQGSRUOOUPI-MUTXJXMQSA-N. The full InChI is InChI=1S/C6H8O4S/c7-11(8)5-2-3-1-4(10-11)6(5)9-3/h3-6H,1-2H2/t3?,4-,5?,6-/m1/s1.
What are the key properties of (3R,7R)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide?
(3R,7R)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide has a molecular weight of 176.19 g/mol, XLogP of -0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7R)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonane 5,5-dioxide is sourced from PubChem (CID 153265899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).