2-[4-(5-aminopentylamino)-2-methylphenyl]-5-chloroisoindole-1,3-dione;N-[4-(5-aminopentylamino)phenyl]-N-methylacetamide;1-N-(5-aminopentyl)-4-N-ethyl-4-N-methylbenzene-1,4-diamine;N-[5-[(9-ethylcarbazol-3-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[4-(4-phenylpiperazin-1-yl)anilino]pentyl]propane-2-sulfonamide;N-[5-(4-piperidin-1-ylanilino)pentyl]propane-2-sulfonamide;N'-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]pentane-1,5-diamine;tetrakis(propane-2-sulfinate)

C146H234ClN23O17S7-4 — CID 158453265

IUPAC2-[4-(5-aminopentylamino)-2-methylphenyl]-5-chloroisoindole-1,3-dione;N-[4-(5-aminopentylamino)phenyl]-N-methylacetamide;1-N-(5-aminopentyl)-4-N-ethyl-4-N-methylbenzene-1,4-diamine;N-[5-[(9-ethylcarbazol-3-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[4-(4-phenylpiperazin-1-yl)anilino]pentyl]propane-2-sulfonamide;N-[5-(4-piperidin-1-ylanilino)pentyl]propane-2-sulfonamide;N'-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]pentane-1,5-diamine;tetrakis(propane-2-sulfinate)
SMILESCC(=O)N(C)c1ccc(NCCCCCN)cc1.CC(C)S(=O)(=O)NCCCCCNc1ccc(N2CCCCC2)cc1.CC(C)S(=O)(=O)NCCCCCNc1ccc(N2CCN(c3ccccc3)CC2)cc1.CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CCN(C)c1ccc(NCCCCCN)cc1.CCn1c2ccccc2c2cc(NCCCCCNS(=O)(=O)C(C)C)ccc21.Cc1cc(NCCCCCN)ccc1N1C(=O)c2ccc(Cl)cc2C1=O.NCCCCCNc1ccc(N2CCC(N3CCCCC3)CC2)cc1
InChIInChI=1S/C24H36N4O2S.C22H31N3O2S.C21H36N4.C20H22ClN3O2.C19H33N3O2S.C14H23N3O.C14H25N3.4C3H8O2S/c1-21(2)31(29,30)26-16-8-4-7-15-25-22-11-13-24(14-12-22)28-19-17-27(18-20-28)23-9-5-3-6-10-23;1-4-25-21-11-7-6-10-19(21)20-16-18(12-13-22(20)25)23-14-8-5-9-15-24-28(26,27)17(2)3;22-13-3-1-4-14-23-19-7-9-20(10-8-19)25-17-11-21(12-18-25)24-15-5-2-6-16-24;1-13-11-15(23-10-4-2-3-9-22)6-8-18(13)24-19(25)16-7-5-14(21)12-17(16)20(24)26;1-17(2)25(23,24)21-14-6-3-5-13-20-18-9-11-19(12-10-18)22-15-7-4-8-16-22;1-12(18)17(2)14-8-6-13(7-9-14)16-11-5-3-4-10-15;1-3-17(2)14-9-7-13(8-10-14)16-12-6-4-5-11-15;4*1-3(2)6(4)5/h3,5-6,9-14,21,25-26H,4,7-8,15-20H2,1-2H3;6-7,10-13,16-17,23-24H,4-5,8-9,14-15H2,1-3H3;7-10,21,23H,1-6,11-18,22H2;5-8,11-12,23H,2-4,9-10,22H2,1H3;9-12,17,20-21H,3-8,13-16H2,1-2H3;6-9,16H,3-5,10-11,15H2,1-2H3;7-10,16H,3-6,11-12,15H2,1-2H3;4*3H,1-2H3,(H,4,5)/p-4
InChIKeyWCAIZGULPCTAFP-UHFFFAOYSA-J
MW2843.54 g/mol
LogP25.90
Rot. Bonds65

About 2-[4-(5-aminopentylamino)-2-methylphenyl]-5-chloroisoindole-1,3-dione;N-[4-(5-aminopentylamino)phenyl]-N-methylacetamide;1-N-(5-aminopentyl)-4-N-ethyl-4-N-methylbenzene-1,4-diamine;N-[5-[(9-ethylcarbazol-3-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[4-(4-phenylpiperazin-1-yl)anilino]pentyl]propane-2-sulfonamide;N-[5-(4-piperidin-1-ylanilino)pentyl]propane-2-sulfonamide;N'-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]pentane-1,5-diamine;tetrakis(propane-2-sulfinate)

2-[4-(5-aminopentylamino)-2-methylphenyl]-5-chloroisoindole-1,3-dione;N-[4-(5-aminopentylamino)phenyl]-N-methylacetamide;1-N-(5-aminopentyl)-4-N-ethyl-4-N-methylbenzene-1,4-diamine;N-[5-[(9-ethylcarbazol-3-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[4-(4-phenylpiperazin-1-yl)anilino]pentyl]propane-2-sulfonamide;N-[5-(4-piperidin-1-ylanilino)pentyl]propane-2-sulfonamide;N'-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]pentane-1,5-diamine;tetrakis(propane-2-sulfinate) (PubChem CID 158453265) has the molecular formula C146H234ClN23O17S7-4 and a molecular weight of 2843.54 g/mol. Its IUPAC name is 2-[4-(5-aminopentylamino)-2-methylphenyl]-5-chloroisoindole-1,3-dione;N-[4-(5-aminopentylamino)phenyl]-N-methylacetamide;1-N-(5-aminopentyl)-4-N-ethyl-4-N-methylbenzene-1,4-diamine;N-[5-[(9-ethylcarbazol-3-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[4-(4-phenylpiperazin-1-yl)anilino]pentyl]propane-2-sulfonamide;N-[5-(4-piperidin-1-ylanilino)pentyl]propane-2-sulfonamide;N'-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]pentane-1,5-diamine;tetrakis(propane-2-sulfinate).

Molecular Properties

Compound Name2-[4-(5-aminopentylamino)-2-methylphenyl]-5-chloroisoindole-1,3-dione;N-[4-(5-aminopentylamino)phenyl]-N-methylacetamide;1-N-(5-aminopentyl)-4-N-ethyl-4-N-methylbenzene-1,4-diamine;N-[5-[(9-ethylcarbazol-3-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[4-(4-phenylpiperazin-1-yl)anilino]pentyl]propane-2-sulfonamide;N-[5-(4-piperidin-1-ylanilino)pentyl]propane-2-sulfonamide;N'-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]pentane-1,5-diamine;tetrakis(propane-2-sulfinate)
PubChem CID158453265
Molecular FormulaC146H234ClN23O17S7-4
Molecular Weight2843.54 g/mol
Exact Mass2840.59
IUPAC Name2-[4-(5-aminopentylamino)-2-methylphenyl]-5-chloroisoindole-1,3-dione;N-[4-(5-aminopentylamino)phenyl]-N-methylacetamide;1-N-(5-aminopentyl)-4-N-ethyl-4-N-methylbenzene-1,4-diamine;N-[5-[(9-ethylcarbazol-3-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[4-(4-phenylpiperazin-1-yl)anilino]pentyl]propane-2-sulfonamide;N-[5-(4-piperidin-1-ylanilino)pentyl]propane-2-sulfonamide;N'-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]pentane-1,5-diamine;tetrakis(propane-2-sulfinate)
SMILESCC(=O)N(C)c1ccc(NCCCCCN)cc1.CC(C)S(=O)(=O)NCCCCCNc1ccc(N2CCCCC2)cc1.CC(C)S(=O)(=O)NCCCCCNc1ccc(N2CCN(c3ccccc3)CC2)cc1.CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CCN(C)c1ccc(NCCCCCN)cc1.CCn1c2ccccc2c2cc(NCCCCCNS(=O)(=O)C(C)C)ccc21.Cc1cc(NCCCCCN)ccc1N1C(=O)c2ccc(Cl)cc2C1=O.NCCCCCNc1ccc(N2CCC(N3CCCCC3)CC2)cc1
InChIInChI=1S/C24H36N4O2S.C22H31N3O2S.C21H36N4.C20H22ClN3O2.C19H33N3O2S.C14H23N3O.C14H25N3.4C3H8O2S/c1-21(2)31(29,30)26-16-8-4-7-15-25-22-11-13-24(14-12-22)28-19-17-27(18-20-28)23-9-5-3-6-10-23;1-4-25-21-11-7-6-10-19(21)20-16-18(12-13-22(20)25)23-14-8-5-9-15-24-28(26,27)17(2)3;22-13-3-1-4-14-23-19-7-9-20(10-8-19)25-17-11-21(12-18-25)24-15-5-2-6-16-24;1-13-11-15(23-10-4-2-3-9-22)6-8-18(13)24-19(25)16-7-5-14(21)12-17(16)20(24)26;1-17(2)25(23,24)21-14-6-3-5-13-20-18-9-11-19(12-10-18)22-15-7-4-8-16-22;1-12(18)17(2)14-8-6-13(7-9-14)16-11-5-3-4-10-15;1-3-17(2)14-9-7-13(8-10-14)16-12-6-4-5-11-15;4*1-3(2)6(4)5/h3,5-6,9-14,21,25-26H,4,7-8,15-20H2,1-2H3;6-7,10-13,16-17,23-24H,4-5,8-9,14-15H2,1-3H3;7-10,21,23H,1-6,11-18,22H2;5-8,11-12,23H,2-4,9-10,22H2,1H3;9-12,17,20-21H,3-8,13-16H2,1-2H3;6-9,16H,3-5,10-11,15H2,1-2H3;7-10,16H,3-6,11-12,15H2,1-2H3;4*3H,1-2H3,(H,4,5)/p-4
InChIKeyWCAIZGULPCTAFP-UHFFFAOYSA-J
XLogP25.90
TPSA569.38 Ų
H-Bond Donors14
H-Bond Acceptors35
Rotatable Bonds65
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002843.54
LogP ≤ 525.90
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 2-[4-(5-aminopentylamino)-2-methylphenyl]-5-chloroisoindole-1,3-dione;N-[4-(5-aminopentylamino)phenyl]-N-methylacetamide;1-N-(5-aminopentyl)-4-N-ethyl-4-N-methylbenzene-1,4-diamine;N-[5-[(9-ethylcarbazol-3-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[4-(4-phenylpiperazin-1-yl)anilino]pentyl]propane-2-sulfonamide;N-[5-(4-piperidin-1-ylanilino)pentyl]propane-2-sulfonamide;N'-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]pentane-1,5-diamine;tetrakis(propane-2-sulfinate) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-aminopentylamino)-2-methylphenyl]-5-chloroisoindole-1,3-dione;N-[4-(5-aminopentylamino)phenyl]-N-methylacetamide;1-N-(5-aminopentyl)-4-N-ethyl-4-N-methylbenzene-1,4-diamine;N-[5-[(9-ethylcarbazol-3-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[4-(4-phenylpiperazin-1-yl)anilino]pentyl]propane-2-sulfonamide;N-[5-(4-piperidin-1-ylanilino)pentyl]propane-2-sulfonamide;N'-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]pentane-1,5-diamine;tetrakis(propane-2-sulfinate)?
The IUPAC name of 2-[4-(5-aminopentylamino)-2-methylphenyl]-5-chloroisoindole-1,3-dione;N-[4-(5-aminopentylamino)phenyl]-N-methylacetamide;1-N-(5-aminopentyl)-4-N-ethyl-4-N-methylbenzene-1,4-diamine;N-[5-[(9-ethylcarbazol-3-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[4-(4-phenylpiperazin-1-yl)anilino]pentyl]propane-2-sulfonamide;N-[5-(4-piperidin-1-ylanilino)pentyl]propane-2-sulfonamide;N'-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]pentane-1,5-diamine;tetrakis(propane-2-sulfinate) (CID 158453265) is 2-[4-(5-aminopentylamino)-2-methylphenyl]-5-chloroisoindole-1,3-dione;N-[4-(5-aminopentylamino)phenyl]-N-methylacetamide;1-N-(5-aminopentyl)-4-N-ethyl-4-N-methylbenzene-1,4-diamine;N-[5-[(9-ethylcarbazol-3-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[4-(4-phenylpiperazin-1-yl)anilino]pentyl]propane-2-sulfonamide;N-[5-(4-piperidin-1-ylanilino)pentyl]propane-2-sulfonamide;N'-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]pentane-1,5-diamine;tetrakis(propane-2-sulfinate).
What is the SMILES notation for 2-[4-(5-aminopentylamino)-2-methylphenyl]-5-chloroisoindole-1,3-dione;N-[4-(5-aminopentylamino)phenyl]-N-methylacetamide;1-N-(5-aminopentyl)-4-N-ethyl-4-N-methylbenzene-1,4-diamine;N-[5-[(9-ethylcarbazol-3-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[4-(4-phenylpiperazin-1-yl)anilino]pentyl]propane-2-sulfonamide;N-[5-(4-piperidin-1-ylanilino)pentyl]propane-2-sulfonamide;N'-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]pentane-1,5-diamine;tetrakis(propane-2-sulfinate)?
The canonical SMILES for 2-[4-(5-aminopentylamino)-2-methylphenyl]-5-chloroisoindole-1,3-dione;N-[4-(5-aminopentylamino)phenyl]-N-methylacetamide;1-N-(5-aminopentyl)-4-N-ethyl-4-N-methylbenzene-1,4-diamine;N-[5-[(9-ethylcarbazol-3-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[4-(4-phenylpiperazin-1-yl)anilino]pentyl]propane-2-sulfonamide;N-[5-(4-piperidin-1-ylanilino)pentyl]propane-2-sulfonamide;N'-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]pentane-1,5-diamine;tetrakis(propane-2-sulfinate) is CC(=O)N(C)c1ccc(NCCCCCN)cc1.CC(C)S(=O)(=O)NCCCCCNc1ccc(N2CCCCC2)cc1.CC(C)S(=O)(=O)NCCCCCNc1ccc(N2CCN(c3ccccc3)CC2)cc1.CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CCN(C)c1ccc(NCCCCCN)cc1.CCn1c2ccccc2c2cc(NCCCCCNS(=O)(=O)C(C)C)ccc21.Cc1cc(NCCCCCN)ccc1N1C(=O)c2ccc(Cl)cc2C1=O.NCCCCCNc1ccc(N2CCC(N3CCCCC3)CC2)cc1.
What is the InChIKey of 2-[4-(5-aminopentylamino)-2-methylphenyl]-5-chloroisoindole-1,3-dione;N-[4-(5-aminopentylamino)phenyl]-N-methylacetamide;1-N-(5-aminopentyl)-4-N-ethyl-4-N-methylbenzene-1,4-diamine;N-[5-[(9-ethylcarbazol-3-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[4-(4-phenylpiperazin-1-yl)anilino]pentyl]propane-2-sulfonamide;N-[5-(4-piperidin-1-ylanilino)pentyl]propane-2-sulfonamide;N'-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]pentane-1,5-diamine;tetrakis(propane-2-sulfinate)?
The InChIKey is WCAIZGULPCTAFP-UHFFFAOYSA-J. The full InChI is InChI=1S/C24H36N4O2S.C22H31N3O2S.C21H36N4.C20H22ClN3O2.C19H33N3O2S.C14H23N3O.C14H25N3.4C3H8O2S/c1-21(2)31(29,30)26-16-8-4-7-15-25-22-11-13-24(14-12-22)28-19-17-27(18-20-28)23-9-5-3-6-10-23;1-4-25-21-11-7-6-10-19(21)20-16-18(12-13-22(20)25)23-14-8-5-9-15-24-28(26,27)17(2)3;22-13-3-1-4-14-23-19-7-9-20(10-8-19)25-17-11-21(12-18-25)24-15-5-2-6-16-24;1-13-11-15(23-10-4-2-3-9-22)6-8-18(13)24-19(25)16-7-5-14(21)12-17(16)20(24)26;1-17(2)25(23,24)21-14-6-3-5-13-20-18-9-11-19(12-10-18)22-15-7-4-8-16-22;1-12(18)17(2)14-8-6-13(7-9-14)16-11-5-3-4-10-15;1-3-17(2)14-9-7-13(8-10-14)16-12-6-4-5-11-15;4*1-3(2)6(4)5/h3,5-6,9-14,21,25-26H,4,7-8,15-20H2,1-2H3;6-7,10-13,16-17,23-24H,4-5,8-9,14-15H2,1-3H3;7-10,21,23H,1-6,11-18,22H2;5-8,11-12,23H,2-4,9-10,22H2,1H3;9-12,17,20-21H,3-8,13-16H2,1-2H3;6-9,16H,3-5,10-11,15H2,1-2H3;7-10,16H,3-6,11-12,15H2,1-2H3;4*3H,1-2H3,(H,4,5)/p-4.
What are the key properties of 2-[4-(5-aminopentylamino)-2-methylphenyl]-5-chloroisoindole-1,3-dione;N-[4-(5-aminopentylamino)phenyl]-N-methylacetamide;1-N-(5-aminopentyl)-4-N-ethyl-4-N-methylbenzene-1,4-diamine;N-[5-[(9-ethylcarbazol-3-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[4-(4-phenylpiperazin-1-yl)anilino]pentyl]propane-2-sulfonamide;N-[5-(4-piperidin-1-ylanilino)pentyl]propane-2-sulfonamide;N'-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]pentane-1,5-diamine;tetrakis(propane-2-sulfinate)?
2-[4-(5-aminopentylamino)-2-methylphenyl]-5-chloroisoindole-1,3-dione;N-[4-(5-aminopentylamino)phenyl]-N-methylacetamide;1-N-(5-aminopentyl)-4-N-ethyl-4-N-methylbenzene-1,4-diamine;N-[5-[(9-ethylcarbazol-3-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[4-(4-phenylpiperazin-1-yl)anilino]pentyl]propane-2-sulfonamide;N-[5-(4-piperidin-1-ylanilino)pentyl]propane-2-sulfonamide;N'-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]pentane-1,5-diamine;tetrakis(propane-2-sulfinate) has a molecular weight of 2843.54 g/mol, XLogP of 25.90, 65 rotatable bonds, 14 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-aminopentylamino)-2-methylphenyl]-5-chloroisoindole-1,3-dione;N-[4-(5-aminopentylamino)phenyl]-N-methylacetamide;1-N-(5-aminopentyl)-4-N-ethyl-4-N-methylbenzene-1,4-diamine;N-[5-[(9-ethylcarbazol-3-yl)amino]pentyl]propane-2-sulfonamide;N-[5-[4-(4-phenylpiperazin-1-yl)anilino]pentyl]propane-2-sulfonamide;N-[5-(4-piperidin-1-ylanilino)pentyl]propane-2-sulfonamide;N'-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]pentane-1,5-diamine;tetrakis(propane-2-sulfinate) is sourced from PubChem (CID 158453265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).