8,9,11,12-tetramethyl-4-morpholin-4-yl-1,3,5,6,8,9,11,12-octazatricyclo[8.3.0.02,6]trideca-2,4-diene-7,13-dithione

C13H21N9OS2 — CID 10643700

IUPAC8,9,11,12-tetramethyl-4-morpholin-4-yl-1,3,5,6,8,9,11,12-octazatricyclo[8.3.0.02,6]trideca-2,4-diene-7,13-dithione
SMILESCN1C(=S)N2c3nc(N4CCOCC4)nn3C(=S)N(C)N(C)C2N1C
InChIInChI=1S/C13H21N9OS2/c1-16-11-17(2)19(4)13(25)22-10(21(11)12(24)18(16)3)14-9(15-22)20-5-7-23-8-6-20/h11H,5-8H2,1-4H3
InChIKeyKIVVJACBBJEPJD-UHFFFAOYSA-N
MW383.51 g/mol
LogP-0.79
Rot. Bonds1

About 8,9,11,12-tetramethyl-4-morpholin-4-yl-1,3,5,6,8,9,11,12-octazatricyclo[8.3.0.02,6]trideca-2,4-diene-7,13-dithione

8,9,11,12-tetramethyl-4-morpholin-4-yl-1,3,5,6,8,9,11,12-octazatricyclo[8.3.0.02,6]trideca-2,4-diene-7,13-dithione (PubChem CID 10643700) has the molecular formula C13H21N9OS2 and a molecular weight of 383.51 g/mol. Its IUPAC name is 8,9,11,12-tetramethyl-4-morpholin-4-yl-1,3,5,6,8,9,11,12-octazatricyclo[8.3.0.02,6]trideca-2,4-diene-7,13-dithione.

Molecular Properties

Compound Name8,9,11,12-tetramethyl-4-morpholin-4-yl-1,3,5,6,8,9,11,12-octazatricyclo[8.3.0.02,6]trideca-2,4-diene-7,13-dithione
PubChem CID10643700
Molecular FormulaC13H21N9OS2
Molecular Weight383.51 g/mol
Exact Mass383.13
IUPAC Name8,9,11,12-tetramethyl-4-morpholin-4-yl-1,3,5,6,8,9,11,12-octazatricyclo[8.3.0.02,6]trideca-2,4-diene-7,13-dithione
SMILESCN1C(=S)N2c3nc(N4CCOCC4)nn3C(=S)N(C)N(C)C2N1C
InChIInChI=1S/C13H21N9OS2/c1-16-11-17(2)19(4)13(25)22-10(21(11)12(24)18(16)3)14-9(15-22)20-5-7-23-8-6-20/h11H,5-8H2,1-4H3
InChIKeyKIVVJACBBJEPJD-UHFFFAOYSA-N
XLogP-0.79
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 8,9,11,12-tetramethyl-4-morpholin-4-yl-1,3,5,6,8,9,11,12-octazatricyclo[8.3.0.02,6]trideca-2,4-diene-7,13-dithione with MolForge

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Related Compounds

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CID 135798417
8-methyl-2-morpholin-4-yl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one
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4-(4,6-dimethyl-1,3,5-triazin-2-yl)morpholine;ethane
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4-(7-methyl-2-morpholin-4-ylpurin-6-yl)morpholine
CID 163441360
N-(2-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-1,1-bis(methylsulfanyl)methanimine
CID 15050968
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2-N-cyclopropyl-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
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2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine
CID 107958242
2-(4-bromo-2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine
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Frequently Asked Questions

What is the IUPAC name of 8,9,11,12-tetramethyl-4-morpholin-4-yl-1,3,5,6,8,9,11,12-octazatricyclo[8.3.0.02,6]trideca-2,4-diene-7,13-dithione?
The IUPAC name of 8,9,11,12-tetramethyl-4-morpholin-4-yl-1,3,5,6,8,9,11,12-octazatricyclo[8.3.0.02,6]trideca-2,4-diene-7,13-dithione (CID 10643700) is 8,9,11,12-tetramethyl-4-morpholin-4-yl-1,3,5,6,8,9,11,12-octazatricyclo[8.3.0.02,6]trideca-2,4-diene-7,13-dithione.
What is the SMILES notation for 8,9,11,12-tetramethyl-4-morpholin-4-yl-1,3,5,6,8,9,11,12-octazatricyclo[8.3.0.02,6]trideca-2,4-diene-7,13-dithione?
The canonical SMILES for 8,9,11,12-tetramethyl-4-morpholin-4-yl-1,3,5,6,8,9,11,12-octazatricyclo[8.3.0.02,6]trideca-2,4-diene-7,13-dithione is CN1C(=S)N2c3nc(N4CCOCC4)nn3C(=S)N(C)N(C)C2N1C.
What is the InChIKey of 8,9,11,12-tetramethyl-4-morpholin-4-yl-1,3,5,6,8,9,11,12-octazatricyclo[8.3.0.02,6]trideca-2,4-diene-7,13-dithione?
The InChIKey is KIVVJACBBJEPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N9OS2/c1-16-11-17(2)19(4)13(25)22-10(21(11)12(24)18(16)3)14-9(15-22)20-5-7-23-8-6-20/h11H,5-8H2,1-4H3.
What are the key properties of 8,9,11,12-tetramethyl-4-morpholin-4-yl-1,3,5,6,8,9,11,12-octazatricyclo[8.3.0.02,6]trideca-2,4-diene-7,13-dithione?
8,9,11,12-tetramethyl-4-morpholin-4-yl-1,3,5,6,8,9,11,12-octazatricyclo[8.3.0.02,6]trideca-2,4-diene-7,13-dithione has a molecular weight of 383.51 g/mol, XLogP of -0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9,11,12-tetramethyl-4-morpholin-4-yl-1,3,5,6,8,9,11,12-octazatricyclo[8.3.0.02,6]trideca-2,4-diene-7,13-dithione is sourced from PubChem (CID 10643700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).