(1S,6S,8R,13R,14S,15R)-7λ6-thiatetracyclo[11.2.1.06,15.08,14]hexadeca-2,11-diene 7,7-dioxide

C15H20O2S — CID 122205119

IUPAC(1S,6S,8R,13R,14S,15R)-7λ6-thiatetracyclo[11.2.1.06,15.08,14]hexadeca-2,11-diene 7,7-dioxide
SMILESO=S1(=O)[C@@H]2CCC=C[C@H]3C[C@H]4C=CCC[C@H]1[C@H]4[C@@H]23
InChIInChI=1S/C15H20O2S/c16-18(17)12-7-3-1-5-10-9-11-6-2-4-8-13(18)15(11)14(10)12/h1-2,5-6,10-15H,3-4,7-9H2/t10-,11+,12+,13-,14+,15-
InChIKeyLXPYSJSOQWZQMN-FYYZZUKCSA-N
MW264.39 g/mol
LogP2.72
Rot. Bonds

About (1S,6S,8R,13R,14S,15R)-7λ6-thiatetracyclo[11.2.1.06,15.08,14]hexadeca-2,11-diene 7,7-dioxide

(1S,6S,8R,13R,14S,15R)-7λ6-thiatetracyclo[11.2.1.06,15.08,14]hexadeca-2,11-diene 7,7-dioxide (PubChem CID 122205119) has the molecular formula C15H20O2S and a molecular weight of 264.39 g/mol. Its IUPAC name is (1S,6S,8R,13R,14S,15R)-7λ6-thiatetracyclo[11.2.1.06,15.08,14]hexadeca-2,11-diene 7,7-dioxide.

Molecular Properties

Compound Name(1S,6S,8R,13R,14S,15R)-7λ6-thiatetracyclo[11.2.1.06,15.08,14]hexadeca-2,11-diene 7,7-dioxide
PubChem CID122205119
Molecular FormulaC15H20O2S
Molecular Weight264.39 g/mol
Exact Mass264.12
IUPAC Name(1S,6S,8R,13R,14S,15R)-7λ6-thiatetracyclo[11.2.1.06,15.08,14]hexadeca-2,11-diene 7,7-dioxide
SMILESO=S1(=O)[C@@H]2CCC=C[C@H]3C[C@H]4C=CCC[C@H]1[C@H]4[C@@H]23
InChIInChI=1S/C15H20O2S/c16-18(17)12-7-3-1-5-10-9-11-6-2-4-8-13(18)15(11)14(10)12/h1-2,5-6,10-15H,3-4,7-9H2/t10-,11+,12+,13-,14+,15-
InChIKeyLXPYSJSOQWZQMN-FYYZZUKCSA-N
XLogP2.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,6S,8R,13R,14S,15R)-7λ6-thiatetracyclo[11.2.1.06,15.08,14]hexadeca-2,11-diene 7,7-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

1,3-Diallyl-1,3,3a,4,7,7a-hexahydro-4,7-methano-2-benzothiophene 2,2-dioxide
CID 122205113
(3S)-3-[(Z)-hept-1-enyl]-4lambda6-thiatricyclo[5.2.1.02,6]dec-8-ene 4,4-dioxide
CID 134887074
(3S)-3-[(E)-hept-1-enyl]-4lambda6-thiatricyclo[5.2.1.02,6]dec-8-ene 4,4-dioxide
CID 134887383
(2R,3S,5R,6S)-3,5-bis(prop-2-enyl)-4lambda6-thiatricyclo[5.2.1.02,6]dec-8-ene 4,4-dioxide
CID 155929168
(1S,3R,4S,5R,7S,8Z,13R)-5-ethenyl-3-pent-4-enyl-2lambda6-thiatricyclo[5.5.1.04,13]tridec-8-ene 2,2-dioxide
CID 155929169
(2S,3R,5S,6R)-3,5-bis(pent-4-enyl)-4lambda6-thiatricyclo[5.2.1.02,6]dec-8-ene 4,4-dioxide
CID 155929170
(2S,3R,5S,6R)-3,5-bis(hex-5-enyl)-4lambda6-thiatricyclo[5.2.1.02,6]dec-8-ene 4,4-dioxide
CID 155929173
(1S,2Z,7S,9R,13Z,15R,16S,17R)-8lambda6-thiatetracyclo[13.2.1.07,17.09,16]octadeca-2,13-diene 8,8-dioxide
CID 155929175
7,9-Bis(ethenyl)-2lambda6-thiaspiro[4.4]nonane 2,2-dioxide
CID 68010718
6,8-bis(ethenyl)-3,4,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[c]thiepine 2,2-dioxide
CID 68010719
2-[2,4-Bis(ethenyl)cyclopentyl]-2-methylthiolane 1,1-dioxide
CID 68010725
(1R,7S)-3lambda6-thiatricyclo[5.3.2.02,6]dodec-11-ene 3,3-dioxide
CID 10059045

Frequently Asked Questions

What is the IUPAC name of (1S,6S,8R,13R,14S,15R)-7λ6-thiatetracyclo[11.2.1.06,15.08,14]hexadeca-2,11-diene 7,7-dioxide?
The IUPAC name of (1S,6S,8R,13R,14S,15R)-7λ6-thiatetracyclo[11.2.1.06,15.08,14]hexadeca-2,11-diene 7,7-dioxide (CID 122205119) is (1S,6S,8R,13R,14S,15R)-7λ6-thiatetracyclo[11.2.1.06,15.08,14]hexadeca-2,11-diene 7,7-dioxide.
What is the SMILES notation for (1S,6S,8R,13R,14S,15R)-7λ6-thiatetracyclo[11.2.1.06,15.08,14]hexadeca-2,11-diene 7,7-dioxide?
The canonical SMILES for (1S,6S,8R,13R,14S,15R)-7λ6-thiatetracyclo[11.2.1.06,15.08,14]hexadeca-2,11-diene 7,7-dioxide is O=S1(=O)[C@@H]2CCC=C[C@H]3C[C@H]4C=CCC[C@H]1[C@H]4[C@@H]23.
What is the InChIKey of (1S,6S,8R,13R,14S,15R)-7λ6-thiatetracyclo[11.2.1.06,15.08,14]hexadeca-2,11-diene 7,7-dioxide?
The InChIKey is LXPYSJSOQWZQMN-FYYZZUKCSA-N. The full InChI is InChI=1S/C15H20O2S/c16-18(17)12-7-3-1-5-10-9-11-6-2-4-8-13(18)15(11)14(10)12/h1-2,5-6,10-15H,3-4,7-9H2/t10-,11+,12+,13-,14+,15-.
What are the key properties of (1S,6S,8R,13R,14S,15R)-7λ6-thiatetracyclo[11.2.1.06,15.08,14]hexadeca-2,11-diene 7,7-dioxide?
(1S,6S,8R,13R,14S,15R)-7λ6-thiatetracyclo[11.2.1.06,15.08,14]hexadeca-2,11-diene 7,7-dioxide has a molecular weight of 264.39 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S,8R,13R,14S,15R)-7λ6-thiatetracyclo[11.2.1.06,15.08,14]hexadeca-2,11-diene 7,7-dioxide is sourced from PubChem (CID 122205119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).