3,5,9,11-tetramethyl-2-thia-6-azabicyclo[5.5.0]dodecane-8,12-dione

C14H23NO2S — CID 176808750

IUPAC3,5,9,11-tetramethyl-2-thia-6-azabicyclo[5.5.0]dodecane-8,12-dione
SMILESCC1CC(C)SC2C(=O)C(C)CC(C)C(=O)C2N1
InChIInChI=1S/C14H23NO2S/c1-7-5-8(2)13(17)14-11(12(7)16)15-9(3)6-10(4)18-14/h7-11,14-15H,5-6H2,1-4H3
InChIKeyWKRXOOLVISRGOO-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.04
Rot. Bonds

About 3,5,9,11-tetramethyl-2-thia-6-azabicyclo[5.5.0]dodecane-8,12-dione

3,5,9,11-tetramethyl-2-thia-6-azabicyclo[5.5.0]dodecane-8,12-dione (PubChem CID 176808750) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 3,5,9,11-tetramethyl-2-thia-6-azabicyclo[5.5.0]dodecane-8,12-dione.

Molecular Properties

Compound Name3,5,9,11-tetramethyl-2-thia-6-azabicyclo[5.5.0]dodecane-8,12-dione
PubChem CID176808750
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name3,5,9,11-tetramethyl-2-thia-6-azabicyclo[5.5.0]dodecane-8,12-dione
SMILESCC1CC(C)SC2C(=O)C(C)CC(C)C(=O)C2N1
InChIInChI=1S/C14H23NO2S/c1-7-5-8(2)13(17)14-11(12(7)16)15-9(3)6-10(4)18-14/h7-11,14-15H,5-6H2,1-4H3
InChIKeyWKRXOOLVISRGOO-UHFFFAOYSA-N
XLogP2.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,5,9,11-tetramethyl-2-thia-6-azabicyclo[5.5.0]dodecane-8,12-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 3,5,9,11-tetramethyl-2-thia-6-azabicyclo[5.5.0]dodecane-8,12-dione?
The IUPAC name of 3,5,9,11-tetramethyl-2-thia-6-azabicyclo[5.5.0]dodecane-8,12-dione (CID 176808750) is 3,5,9,11-tetramethyl-2-thia-6-azabicyclo[5.5.0]dodecane-8,12-dione.
What is the SMILES notation for 3,5,9,11-tetramethyl-2-thia-6-azabicyclo[5.5.0]dodecane-8,12-dione?
The canonical SMILES for 3,5,9,11-tetramethyl-2-thia-6-azabicyclo[5.5.0]dodecane-8,12-dione is CC1CC(C)SC2C(=O)C(C)CC(C)C(=O)C2N1.
What is the InChIKey of 3,5,9,11-tetramethyl-2-thia-6-azabicyclo[5.5.0]dodecane-8,12-dione?
The InChIKey is WKRXOOLVISRGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-7-5-8(2)13(17)14-11(12(7)16)15-9(3)6-10(4)18-14/h7-11,14-15H,5-6H2,1-4H3.
What are the key properties of 3,5,9,11-tetramethyl-2-thia-6-azabicyclo[5.5.0]dodecane-8,12-dione?
3,5,9,11-tetramethyl-2-thia-6-azabicyclo[5.5.0]dodecane-8,12-dione has a molecular weight of 269.41 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,9,11-tetramethyl-2-thia-6-azabicyclo[5.5.0]dodecane-8,12-dione is sourced from PubChem (CID 176808750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).