2,8-dimethyl-5,5-dioxodibenzothiophene-3,7-diamine

C14H14N2O2S — CID 4616894

IUPAC2,8-dimethyl-5,5-dioxodibenzothiophene-3,7-diamine
SMILESCc1cc2c(cc1N)S(=O)(=O)c1cc(N)c(C)cc1-2
InChIInChI=1S/C14H14N2O2S/c1-7-3-9-10-4-8(2)12(16)6-14(10)19(17,18)13(9)5-11(7)15/h3-6H,15-16H2,1-2H3
InChIKeyOJSPYCPPVCMEBS-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.28
Rot. Bonds

About 2,8-dimethyl-5,5-dioxodibenzothiophene-3,7-diamine

2,8-dimethyl-5,5-dioxodibenzothiophene-3,7-diamine (PubChem CID 4616894) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 2,8-dimethyl-5,5-dioxodibenzothiophene-3,7-diamine.

Molecular Properties

Compound Name2,8-dimethyl-5,5-dioxodibenzothiophene-3,7-diamine
PubChem CID4616894
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name2,8-dimethyl-5,5-dioxodibenzothiophene-3,7-diamine
SMILESCc1cc2c(cc1N)S(=O)(=O)c1cc(N)c(C)cc1-2
InChIInChI=1S/C14H14N2O2S/c1-7-3-9-10-4-8(2)12(16)6-14(10)19(17,18)13(9)5-11(7)15/h3-6H,15-16H2,1-2H3
InChIKeyOJSPYCPPVCMEBS-UHFFFAOYSA-N
XLogP2.28
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-5,5-dioxodibenzothiophene-3,7-diamine?
The IUPAC name of 2,8-dimethyl-5,5-dioxodibenzothiophene-3,7-diamine (CID 4616894) is 2,8-dimethyl-5,5-dioxodibenzothiophene-3,7-diamine.
What is the SMILES notation for 2,8-dimethyl-5,5-dioxodibenzothiophene-3,7-diamine?
The canonical SMILES for 2,8-dimethyl-5,5-dioxodibenzothiophene-3,7-diamine is Cc1cc2c(cc1N)S(=O)(=O)c1cc(N)c(C)cc1-2.
What is the InChIKey of 2,8-dimethyl-5,5-dioxodibenzothiophene-3,7-diamine?
The InChIKey is OJSPYCPPVCMEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-7-3-9-10-4-8(2)12(16)6-14(10)19(17,18)13(9)5-11(7)15/h3-6H,15-16H2,1-2H3.
What are the key properties of 2,8-dimethyl-5,5-dioxodibenzothiophene-3,7-diamine?
2,8-dimethyl-5,5-dioxodibenzothiophene-3,7-diamine has a molecular weight of 274.35 g/mol, XLogP of 2.28, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-5,5-dioxodibenzothiophene-3,7-diamine is sourced from PubChem (CID 4616894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).