(1R,6R)-8λ6-thiatricyclo[4.3.2.01,6]undeca-3,10-diene 8,8-dioxide

C10H12O2S — CID 98162256

IUPAC(1R,6R)-8λ6-thiatricyclo[4.3.2.01,6]undeca-3,10-diene 8,8-dioxide
SMILESO=S1(=O)C[C@]23C=C[C@@]2(CC=CC3)C1
InChIInChI=1S/C10H12O2S/c11-13(12)7-9-3-1-2-4-10(9,8-13)6-5-9/h1-2,5-6H,3-4,7-8H2/t9-,10-/m0/s1
InChIKeyWKDVQIRWPOFCOB-UWVGGRQHSA-N
MW196.27 g/mol
LogP1.31
Rot. Bonds

About (1R,6R)-8λ6-thiatricyclo[4.3.2.01,6]undeca-3,10-diene 8,8-dioxide

(1R,6R)-8λ6-thiatricyclo[4.3.2.01,6]undeca-3,10-diene 8,8-dioxide (PubChem CID 98162256) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is (1R,6R)-8λ6-thiatricyclo[4.3.2.01,6]undeca-3,10-diene 8,8-dioxide.

Molecular Properties

Compound Name(1R,6R)-8λ6-thiatricyclo[4.3.2.01,6]undeca-3,10-diene 8,8-dioxide
PubChem CID98162256
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Name(1R,6R)-8λ6-thiatricyclo[4.3.2.01,6]undeca-3,10-diene 8,8-dioxide
SMILESO=S1(=O)C[C@]23C=C[C@@]2(CC=CC3)C1
InChIInChI=1S/C10H12O2S/c11-13(12)7-9-3-1-2-4-10(9,8-13)6-5-9/h1-2,5-6H,3-4,7-8H2/t9-,10-/m0/s1
InChIKeyWKDVQIRWPOFCOB-UWVGGRQHSA-N
XLogP1.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,6R)-8λ6-thiatricyclo[4.3.2.01,6]undeca-3,10-diene 8,8-dioxide 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

(1S,7S)-13λ6-thiatricyclo[5.4.3.01,7]tetradeca-8,10-diene 13,13-dioxide
CID 98162129
spiro[2.4]hept-5-ene
CID 57429034
(11S)-11-chloro-12λ6-thiatricyclo[4.4.3.01,6]trideca-3,8-diene 12,12-dioxide
CID 40534389
4,4-dimethylcyclopentene;methane
CID 143166820
7-oxa-2λ6-thiaspiro[3.4]octane 2,2-dioxide
CID 118609045
3,3,5,5-tetramethyl-1,4-thiazinane 1,1-dioxide
CID 21394477
3,3-ditert-butylthietane 1,1-dioxide
CID 176847723
acetaldehyde;4,4-dimethylcyclopentene;ethane
CID 144700874
2λ6,4λ6,8λ6,10λ6-tetrathia-3,9-diazaspiro[5.5]undecane 2,2,4,4,8,8,10,10-octaoxide
CID 160564321
trispiro[4.1.47.1.413.15]octadeca-2,9,15-triene-6,12,18-trione
CID 101464848
tricyclo[4.3.1.01,6]deca-2,4,7-triene
CID 13328966
[(3R)-3-methyl-1,1-dioxothiolan-3-yl]azanium
CID 7059068

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-8λ6-thiatricyclo[4.3.2.01,6]undeca-3,10-diene 8,8-dioxide?
The IUPAC name of (1R,6R)-8λ6-thiatricyclo[4.3.2.01,6]undeca-3,10-diene 8,8-dioxide (CID 98162256) is (1R,6R)-8λ6-thiatricyclo[4.3.2.01,6]undeca-3,10-diene 8,8-dioxide.
What is the SMILES notation for (1R,6R)-8λ6-thiatricyclo[4.3.2.01,6]undeca-3,10-diene 8,8-dioxide?
The canonical SMILES for (1R,6R)-8λ6-thiatricyclo[4.3.2.01,6]undeca-3,10-diene 8,8-dioxide is O=S1(=O)C[C@]23C=C[C@@]2(CC=CC3)C1.
What is the InChIKey of (1R,6R)-8λ6-thiatricyclo[4.3.2.01,6]undeca-3,10-diene 8,8-dioxide?
The InChIKey is WKDVQIRWPOFCOB-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H12O2S/c11-13(12)7-9-3-1-2-4-10(9,8-13)6-5-9/h1-2,5-6H,3-4,7-8H2/t9-,10-/m0/s1.
What are the key properties of (1R,6R)-8λ6-thiatricyclo[4.3.2.01,6]undeca-3,10-diene 8,8-dioxide?
(1R,6R)-8λ6-thiatricyclo[4.3.2.01,6]undeca-3,10-diene 8,8-dioxide has a molecular weight of 196.27 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-8λ6-thiatricyclo[4.3.2.01,6]undeca-3,10-diene 8,8-dioxide is sourced from PubChem (CID 98162256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).