8λ6-thia-1,9-diazatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6,9-tetraene 8,8-dioxide

C12H12N2O2S — CID 67427206

IUPAC8λ6-thia-1,9-diazatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6,9-tetraene 8,8-dioxide
SMILESO=S1(=O)N=C2C3CCCC3N2c2ccccc21
InChIInChI=1S/C12H12N2O2S/c15-17(16)11-7-2-1-5-10(11)14-9-6-3-4-8(9)12(14)13-17/h1-2,5,7-9H,3-4,6H2
InChIKeyBHNLJRLEFIZERA-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.78
Rot. Bonds

About 8λ6-thia-1,9-diazatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6,9-tetraene 8,8-dioxide

8λ6-thia-1,9-diazatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6,9-tetraene 8,8-dioxide (PubChem CID 67427206) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 8λ6-thia-1,9-diazatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6,9-tetraene 8,8-dioxide.

Molecular Properties

Compound Name8λ6-thia-1,9-diazatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6,9-tetraene 8,8-dioxide
PubChem CID67427206
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name8λ6-thia-1,9-diazatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6,9-tetraene 8,8-dioxide
SMILESO=S1(=O)N=C2C3CCCC3N2c2ccccc21
InChIInChI=1S/C12H12N2O2S/c15-17(16)11-7-2-1-5-10(11)14-9-6-3-4-8(9)12(14)13-17/h1-2,5,7-9H,3-4,6H2
InChIKeyBHNLJRLEFIZERA-UHFFFAOYSA-N
XLogP1.78
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8λ6-thia-1,9-diazatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6,9-tetraene 8,8-dioxide with MolForge

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Related Compounds

3-Fluoro-8,9,10,11-tetrahydro-7h-azepino[2,1-c][1,2,4]-benzothiadiazine 5,5-dioxide
CID 11334672
3-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide
CID 164679582
5,5-dioxo-2,3-dihydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine
CID 11287490
3-cyclopentyl-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 23274604
1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide
CID 141012996
3-Cyclohexyl-4-methyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 162515240
3-(azetidin-3-yl)-2H-1lambda6,2,4-benzothiadiazine-1,1-dione
CID 165526189

Frequently Asked Questions

What is the IUPAC name of 8λ6-thia-1,9-diazatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6,9-tetraene 8,8-dioxide?
The IUPAC name of 8λ6-thia-1,9-diazatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6,9-tetraene 8,8-dioxide (CID 67427206) is 8λ6-thia-1,9-diazatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6,9-tetraene 8,8-dioxide.
What is the SMILES notation for 8λ6-thia-1,9-diazatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6,9-tetraene 8,8-dioxide?
The canonical SMILES for 8λ6-thia-1,9-diazatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6,9-tetraene 8,8-dioxide is O=S1(=O)N=C2C3CCCC3N2c2ccccc21.
What is the InChIKey of 8λ6-thia-1,9-diazatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6,9-tetraene 8,8-dioxide?
The InChIKey is BHNLJRLEFIZERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c15-17(16)11-7-2-1-5-10(11)14-9-6-3-4-8(9)12(14)13-17/h1-2,5,7-9H,3-4,6H2.
What are the key properties of 8λ6-thia-1,9-diazatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6,9-tetraene 8,8-dioxide?
8λ6-thia-1,9-diazatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6,9-tetraene 8,8-dioxide has a molecular weight of 248.31 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8λ6-thia-1,9-diazatetracyclo[8.5.0.02,7.011,15]pentadeca-2,4,6,9-tetraene 8,8-dioxide is sourced from PubChem (CID 67427206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).