1,2,5-trimethyl-7-[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-7λ4-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione

C7H10N2O2S4 — CID 130354798

IUPAC1,2,5-trimethyl-7-[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-7λ4-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione
SMILESCN1C(=O)C2(C)N(C)C(=O)C1S2=S=S=S
InChIInChI=1S/C7H10N2O2S4/c1-7-6(11)8(2)5(4(10)9(7)3)15(7)14-13-12/h5H,1-3H3
InChIKeyGQWCKDULTDIVPQ-UHFFFAOYSA-N
MW282.44 g/mol
LogP-0.95
Rot. Bonds

About 1,2,5-trimethyl-7-[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-7λ4-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione

1,2,5-trimethyl-7-[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-7λ4-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione (PubChem CID 130354798) has the molecular formula C7H10N2O2S4 and a molecular weight of 282.44 g/mol. Its IUPAC name is 1,2,5-trimethyl-7-[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-7λ4-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione.

Molecular Properties

Compound Name1,2,5-trimethyl-7-[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-7λ4-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione
PubChem CID130354798
Molecular FormulaC7H10N2O2S4
Molecular Weight282.44 g/mol
Exact Mass281.96
IUPAC Name1,2,5-trimethyl-7-[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-7λ4-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione
SMILESCN1C(=O)C2(C)N(C)C(=O)C1S2=S=S=S
InChIInChI=1S/C7H10N2O2S4/c1-7-6(11)8(2)5(4(10)9(7)3)15(7)14-13-12/h5H,1-3H3
InChIKeyGQWCKDULTDIVPQ-UHFFFAOYSA-N
XLogP-0.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.44
LogP ≤ 5-0.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,2,5-trimethyl-7-[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-7λ4-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-7-[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-7λ4-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione?
The IUPAC name of 1,2,5-trimethyl-7-[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-7λ4-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione (CID 130354798) is 1,2,5-trimethyl-7-[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-7λ4-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione.
What is the SMILES notation for 1,2,5-trimethyl-7-[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-7λ4-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione?
The canonical SMILES for 1,2,5-trimethyl-7-[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-7λ4-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione is CN1C(=O)C2(C)N(C)C(=O)C1S2=S=S=S.
What is the InChIKey of 1,2,5-trimethyl-7-[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-7λ4-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione?
The InChIKey is GQWCKDULTDIVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S4/c1-7-6(11)8(2)5(4(10)9(7)3)15(7)14-13-12/h5H,1-3H3.
What are the key properties of 1,2,5-trimethyl-7-[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-7λ4-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione?
1,2,5-trimethyl-7-[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-7λ4-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione has a molecular weight of 282.44 g/mol, XLogP of -0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-7-[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-7λ4-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione is sourced from PubChem (CID 130354798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).