3λ6-thia-8,14-diazatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaene 3,3-dioxide

C12H8N2O2S — CID 90929948

IUPAC3λ6-thia-8,14-diazatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaene 3,3-dioxide
SMILESO=S1(=O)C=CC=C2N=CC=c3ccncc3=C21
InChIInChI=1S/C12H8N2O2S/c15-17(16)7-1-2-11-12(17)10-8-13-5-3-9(10)4-6-14-11/h1-8H
InChIKeyCNRSVPVXDKLCPJ-UHFFFAOYSA-N
MW244.28 g/mol
LogP-0.12
Rot. Bonds

About 3λ6-thia-8,14-diazatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaene 3,3-dioxide

3λ6-thia-8,14-diazatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaene 3,3-dioxide (PubChem CID 90929948) has the molecular formula C12H8N2O2S and a molecular weight of 244.28 g/mol. Its IUPAC name is 3λ6-thia-8,14-diazatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaene 3,3-dioxide.

Molecular Properties

Compound Name3λ6-thia-8,14-diazatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaene 3,3-dioxide
PubChem CID90929948
Molecular FormulaC12H8N2O2S
Molecular Weight244.28 g/mol
Exact Mass244.03
IUPAC Name3λ6-thia-8,14-diazatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaene 3,3-dioxide
SMILESO=S1(=O)C=CC=C2N=CC=c3ccncc3=C21
InChIInChI=1S/C12H8N2O2S/c15-17(16)7-1-2-11-12(17)10-8-13-5-3-9(10)4-6-14-11/h1-8H
InChIKeyCNRSVPVXDKLCPJ-UHFFFAOYSA-N
XLogP-0.12
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3λ6-thia-8,14-diazatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaene 3,3-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

6,7-Dihydroquinoline-6-sulfonamide
CID 145096953
(2E)-2-[(Z)-but-2-enylidene]-3-methylidene-5-(methylsulfonylmethyl)pyridine
CID 142246195

Frequently Asked Questions

What is the IUPAC name of 3λ6-thia-8,14-diazatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaene 3,3-dioxide?
The IUPAC name of 3λ6-thia-8,14-diazatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaene 3,3-dioxide (CID 90929948) is 3λ6-thia-8,14-diazatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaene 3,3-dioxide.
What is the SMILES notation for 3λ6-thia-8,14-diazatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaene 3,3-dioxide?
The canonical SMILES for 3λ6-thia-8,14-diazatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaene 3,3-dioxide is O=S1(=O)C=CC=C2N=CC=c3ccncc3=C21.
What is the InChIKey of 3λ6-thia-8,14-diazatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaene 3,3-dioxide?
The InChIKey is CNRSVPVXDKLCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2S/c15-17(16)7-1-2-11-12(17)10-8-13-5-3-9(10)4-6-14-11/h1-8H.
What are the key properties of 3λ6-thia-8,14-diazatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaene 3,3-dioxide?
3λ6-thia-8,14-diazatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaene 3,3-dioxide has a molecular weight of 244.28 g/mol, XLogP of -0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3λ6-thia-8,14-diazatricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaene 3,3-dioxide is sourced from PubChem (CID 90929948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).