13,16-dimethyl-2,6-dioxa-10,19-dithia-13,16-diazatricyclo[16.3.0.07,11]henicosa-1(18),7(11),8,20-tetraene

C17H24N2O2S2 — CID 11810326

IUPAC13,16-dimethyl-2,6-dioxa-10,19-dithia-13,16-diazatricyclo[16.3.0.07,11]henicosa-1(18),7(11),8,20-tetraene
SMILESCN1CCN(C)Cc2sccc2OCCCOc2ccsc2C1
InChIInChI=1S/C17H24N2O2S2/c1-18-6-7-19(2)13-17-15(5-11-23-17)21-9-3-8-20-14-4-10-22-16(14)12-18/h4-5,10-11H,3,6-9,12-13H2,1-2H3
InChIKeyCUXYEJOCSAQKIW-UHFFFAOYSA-N
MW352.53 g/mol
LogP3.53
Rot. Bonds

About 13,16-dimethyl-2,6-dioxa-10,19-dithia-13,16-diazatricyclo[16.3.0.07,11]henicosa-1(18),7(11),8,20-tetraene

13,16-dimethyl-2,6-dioxa-10,19-dithia-13,16-diazatricyclo[16.3.0.07,11]henicosa-1(18),7(11),8,20-tetraene (PubChem CID 11810326) has the molecular formula C17H24N2O2S2 and a molecular weight of 352.53 g/mol. Its IUPAC name is 13,16-dimethyl-2,6-dioxa-10,19-dithia-13,16-diazatricyclo[16.3.0.07,11]henicosa-1(18),7(11),8,20-tetraene.

Molecular Properties

Compound Name13,16-dimethyl-2,6-dioxa-10,19-dithia-13,16-diazatricyclo[16.3.0.07,11]henicosa-1(18),7(11),8,20-tetraene
PubChem CID11810326
Molecular FormulaC17H24N2O2S2
Molecular Weight352.53 g/mol
Exact Mass352.13
IUPAC Name13,16-dimethyl-2,6-dioxa-10,19-dithia-13,16-diazatricyclo[16.3.0.07,11]henicosa-1(18),7(11),8,20-tetraene
SMILESCN1CCN(C)Cc2sccc2OCCCOc2ccsc2C1
InChIInChI=1S/C17H24N2O2S2/c1-18-6-7-19(2)13-17-15(5-11-23-17)21-9-3-8-20-14-4-10-22-16(14)12-18/h4-5,10-11H,3,6-9,12-13H2,1-2H3
InChIKeyCUXYEJOCSAQKIW-UHFFFAOYSA-N
XLogP3.53
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.53
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 13,16-dimethyl-2,6-dioxa-10,19-dithia-13,16-diazatricyclo[16.3.0.07,11]henicosa-1(18),7(11),8,20-tetraene 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 13,16-dimethyl-2,6-dioxa-10,19-dithia-13,16-diazatricyclo[16.3.0.07,11]henicosa-1(18),7(11),8,20-tetraene?
The IUPAC name of 13,16-dimethyl-2,6-dioxa-10,19-dithia-13,16-diazatricyclo[16.3.0.07,11]henicosa-1(18),7(11),8,20-tetraene (CID 11810326) is 13,16-dimethyl-2,6-dioxa-10,19-dithia-13,16-diazatricyclo[16.3.0.07,11]henicosa-1(18),7(11),8,20-tetraene.
What is the SMILES notation for 13,16-dimethyl-2,6-dioxa-10,19-dithia-13,16-diazatricyclo[16.3.0.07,11]henicosa-1(18),7(11),8,20-tetraene?
The canonical SMILES for 13,16-dimethyl-2,6-dioxa-10,19-dithia-13,16-diazatricyclo[16.3.0.07,11]henicosa-1(18),7(11),8,20-tetraene is CN1CCN(C)Cc2sccc2OCCCOc2ccsc2C1.
What is the InChIKey of 13,16-dimethyl-2,6-dioxa-10,19-dithia-13,16-diazatricyclo[16.3.0.07,11]henicosa-1(18),7(11),8,20-tetraene?
The InChIKey is CUXYEJOCSAQKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S2/c1-18-6-7-19(2)13-17-15(5-11-23-17)21-9-3-8-20-14-4-10-22-16(14)12-18/h4-5,10-11H,3,6-9,12-13H2,1-2H3.
What are the key properties of 13,16-dimethyl-2,6-dioxa-10,19-dithia-13,16-diazatricyclo[16.3.0.07,11]henicosa-1(18),7(11),8,20-tetraene?
13,16-dimethyl-2,6-dioxa-10,19-dithia-13,16-diazatricyclo[16.3.0.07,11]henicosa-1(18),7(11),8,20-tetraene has a molecular weight of 352.53 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13,16-dimethyl-2,6-dioxa-10,19-dithia-13,16-diazatricyclo[16.3.0.07,11]henicosa-1(18),7(11),8,20-tetraene is sourced from PubChem (CID 11810326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).