6,6,12,12-tetramethyl-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione

C12H18N2O2S2 — CID 2853992

IUPAC6,6,12,12-tetramethyl-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
SMILESCC1(C)SCC2C(=O)N3C(CSC3(C)C)C(=O)N21
InChIInChI=1S/C12H18N2O2S2/c1-11(2)13-7(5-17-11)10(16)14-8(9(13)15)6-18-12(14,3)4/h7-8H,5-6H2,1-4H3
InChIKeyVVHDYXKIFLVWSV-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.36
Rot. Bonds

About 6,6,12,12-tetramethyl-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione

6,6,12,12-tetramethyl-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione (PubChem CID 2853992) has the molecular formula C12H18N2O2S2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 6,6,12,12-tetramethyl-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione.

Molecular Properties

Compound Name6,6,12,12-tetramethyl-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
PubChem CID2853992
Molecular FormulaC12H18N2O2S2
Molecular Weight286.42 g/mol
Exact Mass286.08
IUPAC Name6,6,12,12-tetramethyl-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
SMILESCC1(C)SCC2C(=O)N3C(CSC3(C)C)C(=O)N21
InChIInChI=1S/C12H18N2O2S2/c1-11(2)13-7(5-17-11)10(16)14-8(9(13)15)6-18-12(14,3)4/h7-8H,5-6H2,1-4H3
InChIKeyVVHDYXKIFLVWSV-UHFFFAOYSA-N
XLogP1.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,6,12,12-tetramethyl-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-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 6,6,12,12-tetramethyl-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione?
The IUPAC name of 6,6,12,12-tetramethyl-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione (CID 2853992) is 6,6,12,12-tetramethyl-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione.
What is the SMILES notation for 6,6,12,12-tetramethyl-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione?
The canonical SMILES for 6,6,12,12-tetramethyl-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione is CC1(C)SCC2C(=O)N3C(CSC3(C)C)C(=O)N21.
What is the InChIKey of 6,6,12,12-tetramethyl-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione?
The InChIKey is VVHDYXKIFLVWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S2/c1-11(2)13-7(5-17-11)10(16)14-8(9(13)15)6-18-12(14,3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 6,6,12,12-tetramethyl-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione?
6,6,12,12-tetramethyl-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione has a molecular weight of 286.42 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,12,12-tetramethyl-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione is sourced from PubChem (CID 2853992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).