4-(11-thia-9,14,15,16,17,19-hexazapentacyclo[10.7.0.02,10.03,7.013,17]nonadeca-1(12),2(10),3(7),8,13,15,18-heptaen-8-yl)morpholine

C16H15N7OS — CID 3332276

IUPAC4-(11-thia-9,14,15,16,17,19-hexazapentacyclo[10.7.0.02,10.03,7.013,17]nonadeca-1(12),2(10),3(7),8,13,15,18-heptaen-8-yl)morpholine
SMILESc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CCC4)c2nnnn12
InChIInChI=1S/C16H15N7OS/c1-2-9-10(3-1)14(22-4-6-24-7-5-22)18-16-11(9)12-13(25-16)15-19-20-21-23(15)8-17-12/h8H,1-7H2
InChIKeyBUHJOIOFVAAXRY-UHFFFAOYSA-N
MW353.41 g/mol
LogP1.61
Rot. Bonds1

About 4-(11-thia-9,14,15,16,17,19-hexazapentacyclo[10.7.0.02,10.03,7.013,17]nonadeca-1(12),2(10),3(7),8,13,15,18-heptaen-8-yl)morpholine

4-(11-thia-9,14,15,16,17,19-hexazapentacyclo[10.7.0.02,10.03,7.013,17]nonadeca-1(12),2(10),3(7),8,13,15,18-heptaen-8-yl)morpholine (PubChem CID 3332276) has the molecular formula C16H15N7OS and a molecular weight of 353.41 g/mol. Its IUPAC name is 4-(11-thia-9,14,15,16,17,19-hexazapentacyclo[10.7.0.02,10.03,7.013,17]nonadeca-1(12),2(10),3(7),8,13,15,18-heptaen-8-yl)morpholine.

Molecular Properties

Compound Name4-(11-thia-9,14,15,16,17,19-hexazapentacyclo[10.7.0.02,10.03,7.013,17]nonadeca-1(12),2(10),3(7),8,13,15,18-heptaen-8-yl)morpholine
PubChem CID3332276
Molecular FormulaC16H15N7OS
Molecular Weight353.41 g/mol
Exact Mass353.11
IUPAC Name4-(11-thia-9,14,15,16,17,19-hexazapentacyclo[10.7.0.02,10.03,7.013,17]nonadeca-1(12),2(10),3(7),8,13,15,18-heptaen-8-yl)morpholine
SMILESc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CCC4)c2nnnn12
InChIInChI=1S/C16H15N7OS/c1-2-9-10(3-1)14(22-4-6-24-7-5-22)18-16-11(9)12-13(25-16)15-19-20-21-23(15)8-17-12/h8H,1-7H2
InChIKeyBUHJOIOFVAAXRY-UHFFFAOYSA-N
XLogP1.61
TPSA81.33 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-(11-thia-9,14,15,16,17,19-hexazapentacyclo[10.7.0.02,10.03,7.013,17]nonadeca-1(12),2(10),3(7),8,13,15,18-heptaen-8-yl)morpholine 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 4-(11-thia-9,14,15,16,17,19-hexazapentacyclo[10.7.0.02,10.03,7.013,17]nonadeca-1(12),2(10),3(7),8,13,15,18-heptaen-8-yl)morpholine?
The IUPAC name of 4-(11-thia-9,14,15,16,17,19-hexazapentacyclo[10.7.0.02,10.03,7.013,17]nonadeca-1(12),2(10),3(7),8,13,15,18-heptaen-8-yl)morpholine (CID 3332276) is 4-(11-thia-9,14,15,16,17,19-hexazapentacyclo[10.7.0.02,10.03,7.013,17]nonadeca-1(12),2(10),3(7),8,13,15,18-heptaen-8-yl)morpholine.
What is the SMILES notation for 4-(11-thia-9,14,15,16,17,19-hexazapentacyclo[10.7.0.02,10.03,7.013,17]nonadeca-1(12),2(10),3(7),8,13,15,18-heptaen-8-yl)morpholine?
The canonical SMILES for 4-(11-thia-9,14,15,16,17,19-hexazapentacyclo[10.7.0.02,10.03,7.013,17]nonadeca-1(12),2(10),3(7),8,13,15,18-heptaen-8-yl)morpholine is c1nc2c(sc3nc(N4CCOCC4)c4c(c32)CCC4)c2nnnn12.
What is the InChIKey of 4-(11-thia-9,14,15,16,17,19-hexazapentacyclo[10.7.0.02,10.03,7.013,17]nonadeca-1(12),2(10),3(7),8,13,15,18-heptaen-8-yl)morpholine?
The InChIKey is BUHJOIOFVAAXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7OS/c1-2-9-10(3-1)14(22-4-6-24-7-5-22)18-16-11(9)12-13(25-16)15-19-20-21-23(15)8-17-12/h8H,1-7H2.
What are the key properties of 4-(11-thia-9,14,15,16,17,19-hexazapentacyclo[10.7.0.02,10.03,7.013,17]nonadeca-1(12),2(10),3(7),8,13,15,18-heptaen-8-yl)morpholine?
4-(11-thia-9,14,15,16,17,19-hexazapentacyclo[10.7.0.02,10.03,7.013,17]nonadeca-1(12),2(10),3(7),8,13,15,18-heptaen-8-yl)morpholine has a molecular weight of 353.41 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(11-thia-9,14,15,16,17,19-hexazapentacyclo[10.7.0.02,10.03,7.013,17]nonadeca-1(12),2(10),3(7),8,13,15,18-heptaen-8-yl)morpholine is sourced from PubChem (CID 3332276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).