5,11-dicyclopropyl-2,8-dithia-5,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone

C14H10N2O4S2 — CID 67136304

IUPAC5,11-dicyclopropyl-2,8-dithia-5,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone
SMILESO=c1c2sc3c(=O)n(C4CC4)c(=O)c3sc2c(=O)n1C1CC1
InChIInChI=1S/C14H10N2O4S2/c17-11-7-8(12(18)15(11)5-1-2-5)22-10-9(21-7)13(19)16(14(10)20)6-3-4-6/h5-6H,1-4H2
InChIKeyNUEDZRKLCUMYRU-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.27
Rot. Bonds2

About 5,11-dicyclopropyl-2,8-dithia-5,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone

5,11-dicyclopropyl-2,8-dithia-5,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone (PubChem CID 67136304) has the molecular formula C14H10N2O4S2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 5,11-dicyclopropyl-2,8-dithia-5,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone.

Molecular Properties

Compound Name5,11-dicyclopropyl-2,8-dithia-5,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone
PubChem CID67136304
Molecular FormulaC14H10N2O4S2
Molecular Weight334.38 g/mol
Exact Mass334.01
IUPAC Name5,11-dicyclopropyl-2,8-dithia-5,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone
SMILESO=c1c2sc3c(=O)n(C4CC4)c(=O)c3sc2c(=O)n1C1CC1
InChIInChI=1S/C14H10N2O4S2/c17-11-7-8(12(18)15(11)5-1-2-5)22-10-9(21-7)13(19)16(14(10)20)6-3-4-6/h5-6H,1-4H2
InChIKeyNUEDZRKLCUMYRU-UHFFFAOYSA-N
XLogP1.27
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5,11-dicyclopropyl-2,8-dithia-5,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,11-dicyclopropyl-2,8-dithia-5,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone?
The IUPAC name of 5,11-dicyclopropyl-2,8-dithia-5,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone (CID 67136304) is 5,11-dicyclopropyl-2,8-dithia-5,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone.
What is the SMILES notation for 5,11-dicyclopropyl-2,8-dithia-5,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone?
The canonical SMILES for 5,11-dicyclopropyl-2,8-dithia-5,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone is O=c1c2sc3c(=O)n(C4CC4)c(=O)c3sc2c(=O)n1C1CC1.
What is the InChIKey of 5,11-dicyclopropyl-2,8-dithia-5,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone?
The InChIKey is NUEDZRKLCUMYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4S2/c17-11-7-8(12(18)15(11)5-1-2-5)22-10-9(21-7)13(19)16(14(10)20)6-3-4-6/h5-6H,1-4H2.
What are the key properties of 5,11-dicyclopropyl-2,8-dithia-5,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone?
5,11-dicyclopropyl-2,8-dithia-5,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone has a molecular weight of 334.38 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dicyclopropyl-2,8-dithia-5,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone is sourced from PubChem (CID 67136304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).