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

C15H16N4OS — CID 736554

IUPAC4-(11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)morpholine
SMILESCc1cc(C)c2c(n1)sc1c(N3CCOCC3)ncnc12
InChIInChI=1S/C15H16N4OS/c1-9-7-10(2)18-15-11(9)12-13(21-15)14(17-8-16-12)19-3-5-20-6-4-19/h7-8H,3-6H2,1-2H3
InChIKeyFHOUKCZMUMGZLB-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.69
Rot. Bonds1

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

4-(11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)morpholine (PubChem CID 736554) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 4-(11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)morpholine.

Molecular Properties

Compound Name4-(11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)morpholine
PubChem CID736554
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name4-(11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)morpholine
SMILESCc1cc(C)c2c(n1)sc1c(N3CCOCC3)ncnc12
InChIInChI=1S/C15H16N4OS/c1-9-7-10(2)18-15-11(9)12-13(21-15)14(17-8-16-12)19-3-5-20-6-4-19/h7-8H,3-6H2,1-2H3
InChIKeyFHOUKCZMUMGZLB-UHFFFAOYSA-N
XLogP2.69
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 4-(11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)morpholine?
The IUPAC name of 4-(11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)morpholine (CID 736554) is 4-(11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)morpholine.
What is the SMILES notation for 4-(11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)morpholine?
The canonical SMILES for 4-(11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)morpholine is Cc1cc(C)c2c(n1)sc1c(N3CCOCC3)ncnc12.
What is the InChIKey of 4-(11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)morpholine?
The InChIKey is FHOUKCZMUMGZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-9-7-10(2)18-15-11(9)12-13(21-15)14(17-8-16-12)19-3-5-20-6-4-19/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-(11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)morpholine?
4-(11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)morpholine has a molecular weight of 300.39 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)morpholine is sourced from PubChem (CID 736554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).