2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl 2,2,2-triiodoacetate;2-(4-methylpiperazin-1-yl)ethyl 2,2,2-triiodoacetate;(1-methylpiperidin-3-yl)methyl 2-iodopropanoate;(1-methylpiperidin-4-yl)methyl 2-iodopropanoate;2-(1-methylpyrrolidin-2-yl)ethyl 2-iodopropanoate;2-morpholin-4-ylethyl 2,2,2-triiodoacetate;2-piperazin-1-ylethyl 2,2,2-triiodoacetate;2-piperidin-1-ylethyl 2-iodopropanoate;2-piperidin-2-ylethyl 2-iodopropanoate;2-piperidin-4-ylethyl 2-iodopropanoate;2-piperidin-1-ylethyl 2,2,2-triiodoacetate;piperidin-4-ylmethyl 2-iodopropanoate

C111H190I22N14O27S — CID 163503952

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl 2,2,2-triiodoacetate;2-(4-methylpiperazin-1-yl)ethyl 2,2,2-triiodoacetate;(1-methylpiperidin-3-yl)methyl 2-iodopropanoate;(1-methylpiperidin-4-yl)methyl 2-iodopropanoate;2-(1-methylpyrrolidin-2-yl)ethyl 2-iodopropanoate;2-morpholin-4-ylethyl 2,2,2-triiodoacetate;2-piperazin-1-ylethyl 2,2,2-triiodoacetate;2-piperidin-1-ylethyl 2-iodopropanoate;2-piperidin-2-ylethyl 2-iodopropanoate;2-piperidin-4-ylethyl 2-iodopropanoate;2-piperidin-1-ylethyl 2,2,2-triiodoacetate;piperidin-4-ylmethyl 2-iodopropanoate

2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl 2,2,2-triiodoacetate;2-(4-methylpiperazin-1-yl)ethyl 2,2,2-triiodoacetate;(1-methylpiperidin-3-yl)methyl 2-iodopropanoate;(1-methylpiperidin-4-yl)methyl 2-iodopropanoate;2-(1-methylpyrrolidin-2-yl)ethyl 2-iodopropanoate;2-morpholin-4-ylethyl 2,2,2-triiodoacetate;2-piperazin-1-ylethyl 2,2,2-triiodoacetate;2-piperidin-1-ylethyl 2-iodopropanoate;2-piperidin-2-ylethyl 2-iodopropanoate;2-piperidin-4-ylethyl 2-iodopropanoate;2-piperidin-1-ylethyl 2,2,2-triiodoacetate;piperidin-4-ylmethyl 2-iodopropanoate (PubChem CID 163503952) has the molecular formula C111H190I22N14O27S and a molecular weight of 4976.77 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl 2,2,2-triiodoacetate;2-(4-methylpiperazin-1-yl)ethyl 2,2,2-triiodoacetate;(1-methylpiperidin-3-yl)methyl 2-iodopropanoate;(1-methylpiperidin-4-yl)methyl 2-iodopropanoate;2-(1-methylpyrrolidin-2-yl)ethyl 2-iodopropanoate;2-morpholin-4-ylethyl 2,2,2-triiodoacetate;2-piperazin-1-ylethyl 2,2,2-triiodoacetate;2-piperidin-1-ylethyl 2-iodopropanoate;2-piperidin-2-ylethyl 2-iodopropanoate;2-piperidin-4-ylethyl 2-iodopropanoate;2-piperidin-1-ylethyl 2,2,2-triiodoacetate;piperidin-4-ylmethyl 2-iodopropanoate.

Molecular Properties

• Compound Name: 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl 2,2,2-triiodoacetate;2-(4-methylpiperazin-1-yl)ethyl 2,2,2-triiodoacetate;(1-methylpiperidin-3-yl)methyl 2-iodopropanoate;(1-methylpiperidin-4-yl)methyl 2-iodopropanoate;2-(1-methylpyrrolidin-2-yl)ethyl 2-iodopropanoate;2-morpholin-4-ylethyl 2,2,2-triiodoacetate;2-piperazin-1-ylethyl 2,2,2-triiodoacetate;2-piperidin-1-ylethyl 2-iodopropanoate;2-piperidin-2-ylethyl 2-iodopropanoate;2-piperidin-4-ylethyl 2-iodopropanoate;2-piperidin-1-ylethyl 2,2,2-triiodoacetate;piperidin-4-ylmethyl 2-iodopropanoate
• PubChem CID: 163503952
• Molecular Formula: C111H190I22N14O27S
• Molecular Weight: 4976.77 g/mol
• Exact Mass: 4975.26
• IUPAC Name: 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl 2,2,2-triiodoacetate;2-(4-methylpiperazin-1-yl)ethyl 2,2,2-triiodoacetate;(1-methylpiperidin-3-yl)methyl 2-iodopropanoate;(1-methylpiperidin-4-yl)methyl 2-iodopropanoate;2-(1-methylpyrrolidin-2-yl)ethyl 2-iodopropanoate;2-morpholin-4-ylethyl 2,2,2-triiodoacetate;2-piperazin-1-ylethyl 2,2,2-triiodoacetate;2-piperidin-1-ylethyl 2-iodopropanoate;2-piperidin-2-ylethyl 2-iodopropanoate;2-piperidin-4-ylethyl 2-iodopropanoate;2-piperidin-1-ylethyl 2,2,2-triiodoacetate;piperidin-4-ylmethyl 2-iodopropanoate
• SMILES: CC(I)C(=O)OCC1CCCN(C)C1.CC(I)C(=O)OCC1CCN(C)CC1.CC(I)C(=O)OCC1CCNCC1.CC(I)C(=O)OCCC1CCCCN1.CC(I)C(=O)OCCC1CCCN1C.CC(I)C(=O)OCCC1CCNCC1.CC(I)C(=O)OCCN1CCCCC1.CN1CCN(CCOC(=O)C(I)(I)I)CC1.O=C(OCCN1CCCCC1)C(I)(I)I.O=C(OCCN1CCNCC1)C(I)(I)I.O=C(OCCN1CCOCC1)C(I)(I)I.O=C(OCCN1CCS(=O)(=O)CC1)C(I)(I)I
• InChI: InChI=1S/6C10H18INO2.C9H15I3N2O2.C9H14I3NO2.C9H16INO2.C8H13I3N2O2.C8H12I3NO4S.C8H12I3NO3/c1-8(11)10(13)14-7-9-3-5-12(2)6-4-9;1-8(11)10(13)14-7-4-9-2-5-12-6-3-9;1-8(11)10(13)14-7-5-9-4-3-6-12(9)2;1-8(11)10(13)14-7-9-4-3-5-12(2)6-9;1-8(11)10(13)14-7-5-9-4-2-3-6-12-9;1-9(11)10(13)14-8-7-12-5-3-2-4-6-12;1-13-2-4-14(5-3-13)6-7-16-8(15)9(10,11)12;10-9(11,12)8(14)15-7-6-13-4-2-1-3-5-13;1-7(10)9(12)13-6-8-2-4-11-5-3-8;9-8(10,11)7(14)15-6-5-13-3-1-12-2-4-13;9-8(10,11)7(13)16-4-1-12-2-5-17(14,15)6-3-12;9-8(10,11)7(13)15-6-3-12-1-4-14-5-2-12/h8-9H,3-7H2,1-2H3;8-9,12H,2-7H2,1H3;2*8-9H,3-7H2,1-2H3;8-9,12H,2-7H2,1H3;9H,2-8H2,1H3;2-7H2,1H3;1-7H2;7-8,11H,2-6H2,1H3;12H,1-6H2;1-6H2;1-6H2
• InChIKey: CXAJTALFHBYNRZ-UHFFFAOYSA-N
• XLogP: 21.19
• TPSA: 439.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 41
• Rotatable Bonds: 45
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4976.77
LogP ≤ 5	21.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl 2,2,2-triiodoacetate;2-(4-methylpiperazin-1-yl)ethyl 2,2,2-triiodoacetate;(1-methylpiperidin-3-yl)methyl 2-iodopropanoate;(1-methylpiperidin-4-yl)methyl 2-iodopropanoate;2-(1-methylpyrrolidin-2-yl)ethyl 2-iodopropanoate;2-morpholin-4-ylethyl 2,2,2-triiodoacetate;2-piperazin-1-ylethyl 2,2,2-triiodoacetate;2-piperidin-1-ylethyl 2-iodopropanoate;2-piperidin-2-ylethyl 2-iodopropanoate;2-piperidin-4-ylethyl 2-iodopropanoate;2-piperidin-1-ylethyl 2,2,2-triiodoacetate;piperidin-4-ylmethyl 2-iodopropanoate?

The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl 2,2,2-triiodoacetate;2-(4-methylpiperazin-1-yl)ethyl 2,2,2-triiodoacetate;(1-methylpiperidin-3-yl)methyl 2-iodopropanoate;(1-methylpiperidin-4-yl)methyl 2-iodopropanoate;2-(1-methylpyrrolidin-2-yl)ethyl 2-iodopropanoate;2-morpholin-4-ylethyl 2,2,2-triiodoacetate;2-piperazin-1-ylethyl 2,2,2-triiodoacetate;2-piperidin-1-ylethyl 2-iodopropanoate;2-piperidin-2-ylethyl 2-iodopropanoate;2-piperidin-4-ylethyl 2-iodopropanoate;2-piperidin-1-ylethyl 2,2,2-triiodoacetate;piperidin-4-ylmethyl 2-iodopropanoate (CID 163503952) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl 2,2,2-triiodoacetate;2-(4-methylpiperazin-1-yl)ethyl 2,2,2-triiodoacetate;(1-methylpiperidin-3-yl)methyl 2-iodopropanoate;(1-methylpiperidin-4-yl)methyl 2-iodopropanoate;2-(1-methylpyrrolidin-2-yl)ethyl 2-iodopropanoate;2-morpholin-4-ylethyl 2,2,2-triiodoacetate;2-piperazin-1-ylethyl 2,2,2-triiodoacetate;2-piperidin-1-ylethyl 2-iodopropanoate;2-piperidin-2-ylethyl 2-iodopropanoate;2-piperidin-4-ylethyl 2-iodopropanoate;2-piperidin-1-ylethyl 2,2,2-triiodoacetate;piperidin-4-ylmethyl 2-iodopropanoate.

What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl 2,2,2-triiodoacetate;2-(4-methylpiperazin-1-yl)ethyl 2,2,2-triiodoacetate;(1-methylpiperidin-3-yl)methyl 2-iodopropanoate;(1-methylpiperidin-4-yl)methyl 2-iodopropanoate;2-(1-methylpyrrolidin-2-yl)ethyl 2-iodopropanoate;2-morpholin-4-ylethyl 2,2,2-triiodoacetate;2-piperazin-1-ylethyl 2,2,2-triiodoacetate;2-piperidin-1-ylethyl 2-iodopropanoate;2-piperidin-2-ylethyl 2-iodopropanoate;2-piperidin-4-ylethyl 2-iodopropanoate;2-piperidin-1-ylethyl 2,2,2-triiodoacetate;piperidin-4-ylmethyl 2-iodopropanoate?

The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl 2,2,2-triiodoacetate;2-(4-methylpiperazin-1-yl)ethyl 2,2,2-triiodoacetate;(1-methylpiperidin-3-yl)methyl 2-iodopropanoate;(1-methylpiperidin-4-yl)methyl 2-iodopropanoate;2-(1-methylpyrrolidin-2-yl)ethyl 2-iodopropanoate;2-morpholin-4-ylethyl 2,2,2-triiodoacetate;2-piperazin-1-ylethyl 2,2,2-triiodoacetate;2-piperidin-1-ylethyl 2-iodopropanoate;2-piperidin-2-ylethyl 2-iodopropanoate;2-piperidin-4-ylethyl 2-iodopropanoate;2-piperidin-1-ylethyl 2,2,2-triiodoacetate;piperidin-4-ylmethyl 2-iodopropanoate is CC(I)C(=O)OCC1CCCN(C)C1.CC(I)C(=O)OCC1CCN(C)CC1.CC(I)C(=O)OCC1CCNCC1.CC(I)C(=O)OCCC1CCCCN1.CC(I)C(=O)OCCC1CCCN1C.CC(I)C(=O)OCCC1CCNCC1.CC(I)C(=O)OCCN1CCCCC1.CN1CCN(CCOC(=O)C(I)(I)I)CC1.O=C(OCCN1CCCCC1)C(I)(I)I.O=C(OCCN1CCNCC1)C(I)(I)I.O=C(OCCN1CCOCC1)C(I)(I)I.O=C(OCCN1CCS(=O)(=O)CC1)C(I)(I)I.

What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl 2,2,2-triiodoacetate;2-(4-methylpiperazin-1-yl)ethyl 2,2,2-triiodoacetate;(1-methylpiperidin-3-yl)methyl 2-iodopropanoate;(1-methylpiperidin-4-yl)methyl 2-iodopropanoate;2-(1-methylpyrrolidin-2-yl)ethyl 2-iodopropanoate;2-morpholin-4-ylethyl 2,2,2-triiodoacetate;2-piperazin-1-ylethyl 2,2,2-triiodoacetate;2-piperidin-1-ylethyl 2-iodopropanoate;2-piperidin-2-ylethyl 2-iodopropanoate;2-piperidin-4-ylethyl 2-iodopropanoate;2-piperidin-1-ylethyl 2,2,2-triiodoacetate;piperidin-4-ylmethyl 2-iodopropanoate?

The InChIKey is CXAJTALFHBYNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/6C10H18INO2.C9H15I3N2O2.C9H14I3NO2.C9H16INO2.C8H13I3N2O2.C8H12I3NO4S.C8H12I3NO3/c1-8(11)10(13)14-7-9-3-5-12(2)6-4-9;1-8(11)10(13)14-7-4-9-2-5-12-6-3-9;1-8(11)10(13)14-7-5-9-4-3-6-12(9)2;1-8(11)10(13)14-7-9-4-3-5-12(2)6-9;1-8(11)10(13)14-7-5-9-4-2-3-6-12-9;1-9(11)10(13)14-8-7-12-5-3-2-4-6-12;1-13-2-4-14(5-3-13)6-7-16-8(15)9(10,11)12;10-9(11,12)8(14)15-7-6-13-4-2-1-3-5-13;1-7(10)9(12)13-6-8-2-4-11-5-3-8;9-8(10,11)7(14)15-6-5-13-3-1-12-2-4-13;9-8(10,11)7(13)16-4-1-12-2-5-17(14,15)6-3-12;9-8(10,11)7(13)15-6-3-12-1-4-14-5-2-12/h8-9H,3-7H2,1-2H3;8-9,12H,2-7H2,1H3;2*8-9H,3-7H2,1-2H3;8-9,12H,2-7H2,1H3;9H,2-8H2,1H3;2-7H2,1H3;1-7H2;7-8,11H,2-6H2,1H3;12H,1-6H2;1-6H2;1-6H2.

What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl 2,2,2-triiodoacetate;2-(4-methylpiperazin-1-yl)ethyl 2,2,2-triiodoacetate;(1-methylpiperidin-3-yl)methyl 2-iodopropanoate;(1-methylpiperidin-4-yl)methyl 2-iodopropanoate;2-(1-methylpyrrolidin-2-yl)ethyl 2-iodopropanoate;2-morpholin-4-ylethyl 2,2,2-triiodoacetate;2-piperazin-1-ylethyl 2,2,2-triiodoacetate;2-piperidin-1-ylethyl 2-iodopropanoate;2-piperidin-2-ylethyl 2-iodopropanoate;2-piperidin-4-ylethyl 2-iodopropanoate;2-piperidin-1-ylethyl 2,2,2-triiodoacetate;piperidin-4-ylmethyl 2-iodopropanoate?

2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl 2,2,2-triiodoacetate;2-(4-methylpiperazin-1-yl)ethyl 2,2,2-triiodoacetate;(1-methylpiperidin-3-yl)methyl 2-iodopropanoate;(1-methylpiperidin-4-yl)methyl 2-iodopropanoate;2-(1-methylpyrrolidin-2-yl)ethyl 2-iodopropanoate;2-morpholin-4-ylethyl 2,2,2-triiodoacetate;2-piperazin-1-ylethyl 2,2,2-triiodoacetate;2-piperidin-1-ylethyl 2-iodopropanoate;2-piperidin-2-ylethyl 2-iodopropanoate;2-piperidin-4-ylethyl 2-iodopropanoate;2-piperidin-1-ylethyl 2,2,2-triiodoacetate;piperidin-4-ylmethyl 2-iodopropanoate has a molecular weight of 4976.77 g/mol, XLogP of 21.19, 45 rotatable bonds, 4 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl 2,2,2-triiodoacetate;2-(4-methylpiperazin-1-yl)ethyl 2,2,2-triiodoacetate;(1-methylpiperidin-3-yl)methyl 2-iodopropanoate;(1-methylpiperidin-4-yl)methyl 2-iodopropanoate;2-(1-methylpyrrolidin-2-yl)ethyl 2-iodopropanoate;2-morpholin-4-ylethyl 2,2,2-triiodoacetate;2-piperazin-1-ylethyl 2,2,2-triiodoacetate;2-piperidin-1-ylethyl 2-iodopropanoate;2-piperidin-2-ylethyl 2-iodopropanoate;2-piperidin-4-ylethyl 2-iodopropanoate;2-piperidin-1-ylethyl 2,2,2-triiodoacetate;piperidin-4-ylmethyl 2-iodopropanoate is sourced from PubChem (CID 163503952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).