4-[4-([1]benzothiolo[2,3-b]pyridin-4-yloxy)cyclohexyl]morpholine;4-N,4-N-dimethyl-1-N-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yl)cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yl)cyclohexane-1,4-diamine;N,N-dimethyl-4-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yloxy)cyclohexan-1-amine;N,N-dimethyl-4-(8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yloxy)cyclohexan-1-amine;N-(4-morpholin-4-ylcyclohexyl)-[1]benzothiolo[2,3-b]pyridin-4-amine

C110H131N23O5S6 — CID 159956824

About 4-[4-([1]benzothiolo[2,3-b]pyridin-4-yloxy)cyclohexyl]morpholine;4-N,4-N-dimethyl-1-N-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yl)cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yl)cyclohexane-1,4-diamine;N,N-dimethyl-4-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yloxy)cyclohexan-1-amine;N,N-dimethyl-4-(8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yloxy)cyclohexan-1-amine;N-(4-morpholin-4-ylcyclohexyl)-[1]benzothiolo[2,3-b]pyridin-4-amine

4-[4-([1]benzothiolo[2,3-b]pyridin-4-yloxy)cyclohexyl]morpholine;4-N,4-N-dimethyl-1-N-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yl)cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yl)cyclohexane-1,4-diamine;N,N-dimethyl-4-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yloxy)cyclohexan-1-amine;N,N-dimethyl-4-(8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yloxy)cyclohexan-1-amine;N-(4-morpholin-4-ylcyclohexyl)-[1]benzothiolo[2,3-b]pyridin-4-amine (PubChem CID 159956824) has the molecular formula C110H131N23O5S6 and a molecular weight of 2047.82 g/mol. Its IUPAC name is 4-[4-([1]benzothiolo[2,3-b]pyridin-4-yloxy)cyclohexyl]morpholine;4-N,4-N-dimethyl-1-N-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yl)cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yl)cyclohexane-1,4-diamine;N,N-dimethyl-4-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yloxy)cyclohexan-1-amine;N,N-dimethyl-4-(8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yloxy)cyclohexan-1-amine;N-(4-morpholin-4-ylcyclohexyl)-[1]benzothiolo[2,3-b]pyridin-4-amine.

Molecular Properties

• Compound Name: 4-[4-([1]benzothiolo[2,3-b]pyridin-4-yloxy)cyclohexyl]morpholine;4-N,4-N-dimethyl-1-N-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yl)cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yl)cyclohexane-1,4-diamine;N,N-dimethyl-4-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yloxy)cyclohexan-1-amine;N,N-dimethyl-4-(8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yloxy)cyclohexan-1-amine;N-(4-morpholin-4-ylcyclohexyl)-[1]benzothiolo[2,3-b]pyridin-4-amine
• PubChem CID: 159956824
• Molecular Formula: C110H131N23O5S6
• Molecular Weight: 2047.82 g/mol
• Exact Mass: 2045.90
• IUPAC Name: 4-[4-([1]benzothiolo[2,3-b]pyridin-4-yloxy)cyclohexyl]morpholine;4-N,4-N-dimethyl-1-N-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yl)cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yl)cyclohexane-1,4-diamine;N,N-dimethyl-4-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yloxy)cyclohexan-1-amine;N,N-dimethyl-4-(8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yloxy)cyclohexan-1-amine;N-(4-morpholin-4-ylcyclohexyl)-[1]benzothiolo[2,3-b]pyridin-4-amine
• SMILES: CN(C)C1CCC(Nc2ncnc3sc4ccncc4c23)CC1.CN(C)C1CCC(Nc2ncnc3sc4cnccc4c23)CC1.CN(C)C1CCC(Oc2ncnc3sc4ccncc4c23)CC1.CN(C)C1CCC(Oc2ncnc3sc4cnccc4c23)CC1.c1ccc2c(c1)sc1nccc(NC3CCC(N4CCOCC4)CC3)c12.c1ccc2c(c1)sc1nccc(OC3CCC(N4CCOCC4)CC3)c12
• InChI: InChI=1S/C21H25N3OS.C21H24N2O2S.2C17H21N5S.2C17H20N4OS/c1-2-4-19-17(3-1)20-18(9-10-22-21(20)26-19)23-15-5-7-16(8-6-15)24-11-13-25-14-12-24;1-2-4-19-17(3-1)20-18(9-10-22-21(20)26-19)25-16-7-5-15(6-8-16)23-11-13-24-14-12-23;1-22(2)12-5-3-11(4-6-12)21-16-15-13-9-18-8-7-14(13)23-17(15)20-10-19-16;1-22(2)12-5-3-11(4-6-12)21-16-15-13-7-8-18-9-14(13)23-17(15)20-10-19-16;1-21(2)11-3-5-12(6-4-11)22-16-15-13-9-18-8-7-14(13)23-17(15)20-10-19-16;1-21(2)11-3-5-12(6-4-11)22-16-15-13-7-8-18-9-14(13)23-17(15)20-10-19-16/h1-4,9-10,15-16H,5-8,11-14H2,(H,22,23);1-4,9-10,15-16H,5-8,11-14H2;2*7-12H,3-6H2,1-2H3,(H,19,20,21);2*7-12H,3-6H2,1-2H3
• InChIKey: OCUZERQRMIJOPM-UHFFFAOYSA-N
• XLogP: 23.01
• TPSA: 282.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 34
• Rotatable Bonds: 18
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2047.82
LogP ≤ 5	23.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 4-[4-([1]benzothiolo[2,3-b]pyridin-4-yloxy)cyclohexyl]morpholine;4-N,4-N-dimethyl-1-N-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yl)cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yl)cyclohexane-1,4-diamine;N,N-dimethyl-4-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yloxy)cyclohexan-1-amine;N,N-dimethyl-4-(8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yloxy)cyclohexan-1-amine;N-(4-morpholin-4-ylcyclohexyl)-[1]benzothiolo[2,3-b]pyridin-4-amine?

The IUPAC name of 4-[4-([1]benzothiolo[2,3-b]pyridin-4-yloxy)cyclohexyl]morpholine;4-N,4-N-dimethyl-1-N-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yl)cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yl)cyclohexane-1,4-diamine;N,N-dimethyl-4-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yloxy)cyclohexan-1-amine;N,N-dimethyl-4-(8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yloxy)cyclohexan-1-amine;N-(4-morpholin-4-ylcyclohexyl)-[1]benzothiolo[2,3-b]pyridin-4-amine (CID 159956824) is 4-[4-([1]benzothiolo[2,3-b]pyridin-4-yloxy)cyclohexyl]morpholine;4-N,4-N-dimethyl-1-N-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yl)cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yl)cyclohexane-1,4-diamine;N,N-dimethyl-4-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yloxy)cyclohexan-1-amine;N,N-dimethyl-4-(8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yloxy)cyclohexan-1-amine;N-(4-morpholin-4-ylcyclohexyl)-[1]benzothiolo[2,3-b]pyridin-4-amine.

What is the SMILES notation for 4-[4-([1]benzothiolo[2,3-b]pyridin-4-yloxy)cyclohexyl]morpholine;4-N,4-N-dimethyl-1-N-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yl)cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yl)cyclohexane-1,4-diamine;N,N-dimethyl-4-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yloxy)cyclohexan-1-amine;N,N-dimethyl-4-(8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yloxy)cyclohexan-1-amine;N-(4-morpholin-4-ylcyclohexyl)-[1]benzothiolo[2,3-b]pyridin-4-amine?

The canonical SMILES for 4-[4-([1]benzothiolo[2,3-b]pyridin-4-yloxy)cyclohexyl]morpholine;4-N,4-N-dimethyl-1-N-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yl)cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yl)cyclohexane-1,4-diamine;N,N-dimethyl-4-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yloxy)cyclohexan-1-amine;N,N-dimethyl-4-(8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yloxy)cyclohexan-1-amine;N-(4-morpholin-4-ylcyclohexyl)-[1]benzothiolo[2,3-b]pyridin-4-amine is CN(C)C1CCC(Nc2ncnc3sc4ccncc4c23)CC1.CN(C)C1CCC(Nc2ncnc3sc4cnccc4c23)CC1.CN(C)C1CCC(Oc2ncnc3sc4ccncc4c23)CC1.CN(C)C1CCC(Oc2ncnc3sc4cnccc4c23)CC1.c1ccc2c(c1)sc1nccc(NC3CCC(N4CCOCC4)CC3)c12.c1ccc2c(c1)sc1nccc(OC3CCC(N4CCOCC4)CC3)c12.

What is the InChIKey of 4-[4-([1]benzothiolo[2,3-b]pyridin-4-yloxy)cyclohexyl]morpholine;4-N,4-N-dimethyl-1-N-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yl)cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yl)cyclohexane-1,4-diamine;N,N-dimethyl-4-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yloxy)cyclohexan-1-amine;N,N-dimethyl-4-(8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yloxy)cyclohexan-1-amine;N-(4-morpholin-4-ylcyclohexyl)-[1]benzothiolo[2,3-b]pyridin-4-amine?

The InChIKey is OCUZERQRMIJOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS.C21H24N2O2S.2C17H21N5S.2C17H20N4OS/c1-2-4-19-17(3-1)20-18(9-10-22-21(20)26-19)23-15-5-7-16(8-6-15)24-11-13-25-14-12-24;1-2-4-19-17(3-1)20-18(9-10-22-21(20)26-19)25-16-7-5-15(6-8-16)23-11-13-24-14-12-23;1-22(2)12-5-3-11(4-6-12)21-16-15-13-9-18-8-7-14(13)23-17(15)20-10-19-16;1-22(2)12-5-3-11(4-6-12)21-16-15-13-7-8-18-9-14(13)23-17(15)20-10-19-16;1-21(2)11-3-5-12(6-4-11)22-16-15-13-9-18-8-7-14(13)23-17(15)20-10-19-16;1-21(2)11-3-5-12(6-4-11)22-16-15-13-7-8-18-9-14(13)23-17(15)20-10-19-16/h1-4,9-10,15-16H,5-8,11-14H2,(H,22,23);1-4,9-10,15-16H,5-8,11-14H2;2*7-12H,3-6H2,1-2H3,(H,19,20,21);2*7-12H,3-6H2,1-2H3.

What are the key properties of 4-[4-([1]benzothiolo[2,3-b]pyridin-4-yloxy)cyclohexyl]morpholine;4-N,4-N-dimethyl-1-N-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yl)cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yl)cyclohexane-1,4-diamine;N,N-dimethyl-4-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yloxy)cyclohexan-1-amine;N,N-dimethyl-4-(8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yloxy)cyclohexan-1-amine;N-(4-morpholin-4-ylcyclohexyl)-[1]benzothiolo[2,3-b]pyridin-4-amine?

4-[4-([1]benzothiolo[2,3-b]pyridin-4-yloxy)cyclohexyl]morpholine;4-N,4-N-dimethyl-1-N-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yl)cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yl)cyclohexane-1,4-diamine;N,N-dimethyl-4-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yloxy)cyclohexan-1-amine;N,N-dimethyl-4-(8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yloxy)cyclohexan-1-amine;N-(4-morpholin-4-ylcyclohexyl)-[1]benzothiolo[2,3-b]pyridin-4-amine has a molecular weight of 2047.82 g/mol, XLogP of 23.01, 18 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-([1]benzothiolo[2,3-b]pyridin-4-yloxy)cyclohexyl]morpholine;4-N,4-N-dimethyl-1-N-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yl)cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yl)cyclohexane-1,4-diamine;N,N-dimethyl-4-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yloxy)cyclohexan-1-amine;N,N-dimethyl-4-(8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yloxy)cyclohexan-1-amine;N-(4-morpholin-4-ylcyclohexyl)-[1]benzothiolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 159956824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).