N-[2-[6-amino-8-[(6-iodo-2,3-dihydro-1H-inden-5-yl)sulfanyl]purin-9-yl]ethyl]-2-methylpropane-2-sulfinamide;N-[2-[6-amino-8-[(6-iodo-2,3-dihydro-1H-inden-5-yl)sulfanyl]purin-9-yl]ethyl]-2-methylpropane-2-sulfonamide;N-(2-bromoethyl)-2-methylpropane-2-sulfinamide;N-(2-bromoethyl)-2-methylpropane-2-sulfonamide;N,2-dibromoethanamine

C54H83Br4I2N15O6S6 — CID 162086921

About N-[2-[6-amino-8-[(6-iodo-2,3-dihydro-1H-inden-5-yl)sulfanyl]purin-9-yl]ethyl]-2-methylpropane-2-sulfinamide;N-[2-[6-amino-8-[(6-iodo-2,3-dihydro-1H-inden-5-yl)sulfanyl]purin-9-yl]ethyl]-2-methylpropane-2-sulfonamide;N-(2-bromoethyl)-2-methylpropane-2-sulfinamide;N-(2-bromoethyl)-2-methylpropane-2-sulfonamide;N,2-dibromoethanamine

N-[2-[6-amino-8-[(6-iodo-2,3-dihydro-1H-inden-5-yl)sulfanyl]purin-9-yl]ethyl]-2-methylpropane-2-sulfinamide;N-[2-[6-amino-8-[(6-iodo-2,3-dihydro-1H-inden-5-yl)sulfanyl]purin-9-yl]ethyl]-2-methylpropane-2-sulfonamide;N-(2-bromoethyl)-2-methylpropane-2-sulfinamide;N-(2-bromoethyl)-2-methylpropane-2-sulfonamide;N,2-dibromoethanamine (PubChem CID 162086921) has the molecular formula C54H83Br4I2N15O6S6 and a molecular weight of 1804.18 g/mol. Its IUPAC name is N-[2-[6-amino-8-[(6-iodo-2,3-dihydro-1H-inden-5-yl)sulfanyl]purin-9-yl]ethyl]-2-methylpropane-2-sulfinamide;N-[2-[6-amino-8-[(6-iodo-2,3-dihydro-1H-inden-5-yl)sulfanyl]purin-9-yl]ethyl]-2-methylpropane-2-sulfonamide;N-(2-bromoethyl)-2-methylpropane-2-sulfinamide;N-(2-bromoethyl)-2-methylpropane-2-sulfonamide;N,2-dibromoethanamine.

Molecular Properties

• Compound Name: N-[2-[6-amino-8-[(6-iodo-2,3-dihydro-1H-inden-5-yl)sulfanyl]purin-9-yl]ethyl]-2-methylpropane-2-sulfinamide;N-[2-[6-amino-8-[(6-iodo-2,3-dihydro-1H-inden-5-yl)sulfanyl]purin-9-yl]ethyl]-2-methylpropane-2-sulfonamide;N-(2-bromoethyl)-2-methylpropane-2-sulfinamide;N-(2-bromoethyl)-2-methylpropane-2-sulfonamide;N,2-dibromoethanamine
• PubChem CID: 162086921
• Molecular Formula: C54H83Br4I2N15O6S6
• Molecular Weight: 1804.18 g/mol
• Exact Mass: 1798.98
• IUPAC Name: N-[2-[6-amino-8-[(6-iodo-2,3-dihydro-1H-inden-5-yl)sulfanyl]purin-9-yl]ethyl]-2-methylpropane-2-sulfinamide;N-[2-[6-amino-8-[(6-iodo-2,3-dihydro-1H-inden-5-yl)sulfanyl]purin-9-yl]ethyl]-2-methylpropane-2-sulfonamide;N-(2-bromoethyl)-2-methylpropane-2-sulfinamide;N-(2-bromoethyl)-2-methylpropane-2-sulfonamide;N,2-dibromoethanamine
• SMILES: BrCCNBr.CC(C)(C)S(=O)(=O)NCCBr.CC(C)(C)S(=O)(=O)NCCn1c(Sc2cc3c(cc2I)CCC3)nc2c(N)ncnc21.CC(C)(C)S(=O)NCCBr.CC(C)(C)S(=O)NCCn1c(Sc2cc3c(cc2I)CCC3)nc2c(N)ncnc21
• InChI: InChI=1S/C20H25IN6O2S2.C20H25IN6OS2.C6H14BrNO2S.C6H14BrNOS.C2H5Br2N/c1-20(2,3)31(28,29)25-7-8-27-18-16(17(22)23-11-24-18)26-19(27)30-15-10-13-6-4-5-12(13)9-14(15)21;1-20(2,3)30(28)25-7-8-27-18-16(17(22)23-11-24-18)26-19(27)29-15-10-13-6-4-5-12(13)9-14(15)21;1-6(2,3)11(9,10)8-5-4-7;1-6(2,3)10(9)8-5-4-7;3-1-2-5-4/h9-11,25H,4-8H2,1-3H3,(H2,22,23,24);9-11,25H,4-8H2,1-3H3,(H2,22,23,24);8H,4-5H2,1-3H3;8H,4-5H2,1-3H3;5H,1-2H2
• InChIKey: ZDBZALKXAJNPDO-UHFFFAOYSA-N
• XLogP: 10.89
• TPSA: 301.81 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1804.18
LogP ≤ 5	10.89
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-amino-8-[(6-iodo-2,3-dihydro-1H-inden-5-yl)sulfanyl]purin-9-yl]ethyl]-2-methylpropane-2-sulfinamide;N-[2-[6-amino-8-[(6-iodo-2,3-dihydro-1H-inden-5-yl)sulfanyl]purin-9-yl]ethyl]-2-methylpropane-2-sulfonamide;N-(2-bromoethyl)-2-methylpropane-2-sulfinamide;N-(2-bromoethyl)-2-methylpropane-2-sulfonamide;N,2-dibromoethanamine?

The IUPAC name of N-[2-[6-amino-8-[(6-iodo-2,3-dihydro-1H-inden-5-yl)sulfanyl]purin-9-yl]ethyl]-2-methylpropane-2-sulfinamide;N-[2-[6-amino-8-[(6-iodo-2,3-dihydro-1H-inden-5-yl)sulfanyl]purin-9-yl]ethyl]-2-methylpropane-2-sulfonamide;N-(2-bromoethyl)-2-methylpropane-2-sulfinamide;N-(2-bromoethyl)-2-methylpropane-2-sulfonamide;N,2-dibromoethanamine (CID 162086921) is N-[2-[6-amino-8-[(6-iodo-2,3-dihydro-1H-inden-5-yl)sulfanyl]purin-9-yl]ethyl]-2-methylpropane-2-sulfinamide;N-[2-[6-amino-8-[(6-iodo-2,3-dihydro-1H-inden-5-yl)sulfanyl]purin-9-yl]ethyl]-2-methylpropane-2-sulfonamide;N-(2-bromoethyl)-2-methylpropane-2-sulfinamide;N-(2-bromoethyl)-2-methylpropane-2-sulfonamide;N,2-dibromoethanamine.

What is the SMILES notation for N-[2-[6-amino-8-[(6-iodo-2,3-dihydro-1H-inden-5-yl)sulfanyl]purin-9-yl]ethyl]-2-methylpropane-2-sulfinamide;N-[2-[6-amino-8-[(6-iodo-2,3-dihydro-1H-inden-5-yl)sulfanyl]purin-9-yl]ethyl]-2-methylpropane-2-sulfonamide;N-(2-bromoethyl)-2-methylpropane-2-sulfinamide;N-(2-bromoethyl)-2-methylpropane-2-sulfonamide;N,2-dibromoethanamine?

The canonical SMILES for N-[2-[6-amino-8-[(6-iodo-2,3-dihydro-1H-inden-5-yl)sulfanyl]purin-9-yl]ethyl]-2-methylpropane-2-sulfinamide;N-[2-[6-amino-8-[(6-iodo-2,3-dihydro-1H-inden-5-yl)sulfanyl]purin-9-yl]ethyl]-2-methylpropane-2-sulfonamide;N-(2-bromoethyl)-2-methylpropane-2-sulfinamide;N-(2-bromoethyl)-2-methylpropane-2-sulfonamide;N,2-dibromoethanamine is BrCCNBr.CC(C)(C)S(=O)(=O)NCCBr.CC(C)(C)S(=O)(=O)NCCn1c(Sc2cc3c(cc2I)CCC3)nc2c(N)ncnc21.CC(C)(C)S(=O)NCCBr.CC(C)(C)S(=O)NCCn1c(Sc2cc3c(cc2I)CCC3)nc2c(N)ncnc21.

What is the InChIKey of N-[2-[6-amino-8-[(6-iodo-2,3-dihydro-1H-inden-5-yl)sulfanyl]purin-9-yl]ethyl]-2-methylpropane-2-sulfinamide;N-[2-[6-amino-8-[(6-iodo-2,3-dihydro-1H-inden-5-yl)sulfanyl]purin-9-yl]ethyl]-2-methylpropane-2-sulfonamide;N-(2-bromoethyl)-2-methylpropane-2-sulfinamide;N-(2-bromoethyl)-2-methylpropane-2-sulfonamide;N,2-dibromoethanamine?

The InChIKey is ZDBZALKXAJNPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25IN6O2S2.C20H25IN6OS2.C6H14BrNO2S.C6H14BrNOS.C2H5Br2N/c1-20(2,3)31(28,29)25-7-8-27-18-16(17(22)23-11-24-18)26-19(27)30-15-10-13-6-4-5-12(13)9-14(15)21;1-20(2,3)30(28)25-7-8-27-18-16(17(22)23-11-24-18)26-19(27)29-15-10-13-6-4-5-12(13)9-14(15)21;1-6(2,3)11(9,10)8-5-4-7;1-6(2,3)10(9)8-5-4-7;3-1-2-5-4/h9-11,25H,4-8H2,1-3H3,(H2,22,23,24);9-11,25H,4-8H2,1-3H3,(H2,22,23,24);8H,4-5H2,1-3H3;8H,4-5H2,1-3H3;5H,1-2H2.

What are the key properties of N-[2-[6-amino-8-[(6-iodo-2,3-dihydro-1H-inden-5-yl)sulfanyl]purin-9-yl]ethyl]-2-methylpropane-2-sulfinamide;N-[2-[6-amino-8-[(6-iodo-2,3-dihydro-1H-inden-5-yl)sulfanyl]purin-9-yl]ethyl]-2-methylpropane-2-sulfonamide;N-(2-bromoethyl)-2-methylpropane-2-sulfinamide;N-(2-bromoethyl)-2-methylpropane-2-sulfonamide;N,2-dibromoethanamine?

N-[2-[6-amino-8-[(6-iodo-2,3-dihydro-1H-inden-5-yl)sulfanyl]purin-9-yl]ethyl]-2-methylpropane-2-sulfinamide;N-[2-[6-amino-8-[(6-iodo-2,3-dihydro-1H-inden-5-yl)sulfanyl]purin-9-yl]ethyl]-2-methylpropane-2-sulfonamide;N-(2-bromoethyl)-2-methylpropane-2-sulfinamide;N-(2-bromoethyl)-2-methylpropane-2-sulfonamide;N,2-dibromoethanamine has a molecular weight of 1804.18 g/mol, XLogP of 10.89, 20 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[6-amino-8-[(6-iodo-2,3-dihydro-1H-inden-5-yl)sulfanyl]purin-9-yl]ethyl]-2-methylpropane-2-sulfinamide;N-[2-[6-amino-8-[(6-iodo-2,3-dihydro-1H-inden-5-yl)sulfanyl]purin-9-yl]ethyl]-2-methylpropane-2-sulfonamide;N-(2-bromoethyl)-2-methylpropane-2-sulfinamide;N-(2-bromoethyl)-2-methylpropane-2-sulfonamide;N,2-dibromoethanamine is sourced from PubChem (CID 162086921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).