4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1-oxide;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbaldehyde;1,4-thiazinane 1-oxide;hydrochloride

C52H53ClN12O6S3 — CID 160886268

About 4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1-oxide;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbaldehyde;1,4-thiazinane 1-oxide;hydrochloride

4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1-oxide;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbaldehyde;1,4-thiazinane 1-oxide;hydrochloride (PubChem CID 160886268) has the molecular formula C52H53ClN12O6S3 and a molecular weight of 1073.73 g/mol. Its IUPAC name is 4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1-oxide;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbaldehyde;1,4-thiazinane 1-oxide;hydrochloride.

Molecular Properties

• Compound Name: 4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1-oxide;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbaldehyde;1,4-thiazinane 1-oxide;hydrochloride
• PubChem CID: 160886268
• Molecular Formula: C52H53ClN12O6S3
• Molecular Weight: 1073.73 g/mol
• Exact Mass: 1072.31
• IUPAC Name: 4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1-oxide;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbaldehyde;1,4-thiazinane 1-oxide;hydrochloride
• SMILES: Cl.O=Cc1cnc2sc3c(N4CCOCC4)nc(-c4cccc5[nH]ccc45)nc3c2c1.O=S1CCN(Cc2cnc3oc4c(N5CCOCC5)nc(-c5cccc6[nH]ccc56)nc4c3c2)CC1.O=S1CCNCC1
• InChI: InChI=1S/C26H26N6O3S.C22H17N5O2S.C4H9NOS.ClH/c33-36-12-8-31(9-13-36)16-17-14-20-22-23(35-26(20)28-15-17)25(32-6-10-34-11-7-32)30-24(29-22)19-2-1-3-21-18(19)4-5-27-21;28-12-13-10-16-18-19(30-22(16)24-11-13)21(27-6-8-29-9-7-27)26-20(25-18)15-2-1-3-17-14(15)4-5-23-17;6-7-3-1-5-2-4-7;/h1-5,14-15,27H,6-13,16H2;1-5,10-12,23H,6-9H2;5H,1-4H2;1H
• InChIKey: MCOZECPEYSSJKI-UHFFFAOYSA-N
• XLogP: 7.12
• TPSA: 213.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 7
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1073.73
LogP ≤ 5	7.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1-oxide;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbaldehyde;1,4-thiazinane 1-oxide;hydrochloride?

The IUPAC name of 4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1-oxide;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbaldehyde;1,4-thiazinane 1-oxide;hydrochloride (CID 160886268) is 4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1-oxide;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbaldehyde;1,4-thiazinane 1-oxide;hydrochloride.

What is the SMILES notation for 4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1-oxide;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbaldehyde;1,4-thiazinane 1-oxide;hydrochloride?

The canonical SMILES for 4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1-oxide;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbaldehyde;1,4-thiazinane 1-oxide;hydrochloride is Cl.O=Cc1cnc2sc3c(N4CCOCC4)nc(-c4cccc5[nH]ccc45)nc3c2c1.O=S1CCN(Cc2cnc3oc4c(N5CCOCC5)nc(-c5cccc6[nH]ccc56)nc4c3c2)CC1.O=S1CCNCC1.

What is the InChIKey of 4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1-oxide;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbaldehyde;1,4-thiazinane 1-oxide;hydrochloride?

The InChIKey is MCOZECPEYSSJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3S.C22H17N5O2S.C4H9NOS.ClH/c33-36-12-8-31(9-13-36)16-17-14-20-22-23(35-26(20)28-15-17)25(32-6-10-34-11-7-32)30-24(29-22)19-2-1-3-21-18(19)4-5-27-21;28-12-13-10-16-18-19(30-22(16)24-11-13)21(27-6-8-29-9-7-27)26-20(25-18)15-2-1-3-17-14(15)4-5-23-17;6-7-3-1-5-2-4-7;/h1-5,14-15,27H,6-13,16H2;1-5,10-12,23H,6-9H2;5H,1-4H2;1H.

What are the key properties of 4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1-oxide;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbaldehyde;1,4-thiazinane 1-oxide;hydrochloride?

4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1-oxide;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbaldehyde;1,4-thiazinane 1-oxide;hydrochloride has a molecular weight of 1073.73 g/mol, XLogP of 7.12, 7 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1-oxide;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbaldehyde;1,4-thiazinane 1-oxide;hydrochloride is sourced from PubChem (CID 160886268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).