4-(6-methoxy-13-methyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine

C15H16N4O2S — CID 53368738

IUPAC4-(6-methoxy-13-methyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine
SMILESCOc1ncnc2c1sc1nc(N3CCOCC3)cc(C)c12
InChIInChI=1S/C15H16N4O2S/c1-9-7-10(19-3-5-21-6-4-19)18-15-11(9)12-13(22-15)14(20-2)17-8-16-12/h7-8H,3-6H2,1-2H3
InChIKeyYJYHPILEXHKEOF-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.39
Rot. Bonds2

About 4-(6-methoxy-13-methyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine

4-(6-methoxy-13-methyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine (PubChem CID 53368738) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 4-(6-methoxy-13-methyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine.

Molecular Properties

Compound Name4-(6-methoxy-13-methyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine
PubChem CID53368738
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name4-(6-methoxy-13-methyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine
SMILESCOc1ncnc2c1sc1nc(N3CCOCC3)cc(C)c12
InChIInChI=1S/C15H16N4O2S/c1-9-7-10(19-3-5-21-6-4-19)18-15-11(9)12-13(22-15)14(20-2)17-8-16-12/h7-8H,3-6H2,1-2H3
InChIKeyYJYHPILEXHKEOF-UHFFFAOYSA-N
XLogP2.39
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(6-methoxy-13-methyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-13-methyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine?
The IUPAC name of 4-(6-methoxy-13-methyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine (CID 53368738) is 4-(6-methoxy-13-methyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine.
What is the SMILES notation for 4-(6-methoxy-13-methyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine?
The canonical SMILES for 4-(6-methoxy-13-methyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine is COc1ncnc2c1sc1nc(N3CCOCC3)cc(C)c12.
What is the InChIKey of 4-(6-methoxy-13-methyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine?
The InChIKey is YJYHPILEXHKEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-9-7-10(19-3-5-21-6-4-19)18-15-11(9)12-13(22-15)14(20-2)17-8-16-12/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-(6-methoxy-13-methyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine?
4-(6-methoxy-13-methyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine has a molecular weight of 316.39 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-13-methyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine is sourced from PubChem (CID 53368738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).