N'-[4-(3-aminopyrrolidin-1-yl)phenyl]pentane-1,5-diamine;tert-butyl N-[1-[4-[5-(tert-butylsulfonylamino)pentylamino]phenyl]pyrrolidin-3-yl]carbamate;N-[5-[4-(2,3-dihydroindol-1-yl)anilino]pentyl]-2-methylpropane-2-sulfonamide;N-[5-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]-2-methylpropane-2-sulfonamide;N'-(4-indol-1-ylphenyl)pentane-1,5-diamine;bis(2-methylpropane-2-sulfinate);dihydrochloride

C110H181Cl2N17O13S5-2 — CID 160564787

About N'-[4-(3-aminopyrrolidin-1-yl)phenyl]pentane-1,5-diamine;tert-butyl N-[1-[4-[5-(tert-butylsulfonylamino)pentylamino]phenyl]pyrrolidin-3-yl]carbamate;N-[5-[4-(2,3-dihydroindol-1-yl)anilino]pentyl]-2-methylpropane-2-sulfonamide;N-[5-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]-2-methylpropane-2-sulfonamide;N'-(4-indol-1-ylphenyl)pentane-1,5-diamine;bis(2-methylpropane-2-sulfinate);dihydrochloride

N'-[4-(3-aminopyrrolidin-1-yl)phenyl]pentane-1,5-diamine;tert-butyl N-[1-[4-[5-(tert-butylsulfonylamino)pentylamino]phenyl]pyrrolidin-3-yl]carbamate;N-[5-[4-(2,3-dihydroindol-1-yl)anilino]pentyl]-2-methylpropane-2-sulfonamide;N-[5-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]-2-methylpropane-2-sulfonamide;N'-(4-indol-1-ylphenyl)pentane-1,5-diamine;bis(2-methylpropane-2-sulfinate);dihydrochloride (PubChem CID 160564787) has the molecular formula C110H181Cl2N17O13S5-2 and a molecular weight of 2181.00 g/mol. Its IUPAC name is N'-[4-(3-aminopyrrolidin-1-yl)phenyl]pentane-1,5-diamine;tert-butyl N-[1-[4-[5-(tert-butylsulfonylamino)pentylamino]phenyl]pyrrolidin-3-yl]carbamate;N-[5-[4-(2,3-dihydroindol-1-yl)anilino]pentyl]-2-methylpropane-2-sulfonamide;N-[5-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]-2-methylpropane-2-sulfonamide;N'-(4-indol-1-ylphenyl)pentane-1,5-diamine;bis(2-methylpropane-2-sulfinate);dihydrochloride.

Molecular Properties

• Compound Name: N'-[4-(3-aminopyrrolidin-1-yl)phenyl]pentane-1,5-diamine;tert-butyl N-[1-[4-[5-(tert-butylsulfonylamino)pentylamino]phenyl]pyrrolidin-3-yl]carbamate;N-[5-[4-(2,3-dihydroindol-1-yl)anilino]pentyl]-2-methylpropane-2-sulfonamide;N-[5-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]-2-methylpropane-2-sulfonamide;N'-(4-indol-1-ylphenyl)pentane-1,5-diamine;bis(2-methylpropane-2-sulfinate);dihydrochloride
• PubChem CID: 160564787
• Molecular Formula: C110H181Cl2N17O13S5-2
• Molecular Weight: 2181.00 g/mol
• Exact Mass: 2178.20
• IUPAC Name: N'-[4-(3-aminopyrrolidin-1-yl)phenyl]pentane-1,5-diamine;tert-butyl N-[1-[4-[5-(tert-butylsulfonylamino)pentylamino]phenyl]pyrrolidin-3-yl]carbamate;N-[5-[4-(2,3-dihydroindol-1-yl)anilino]pentyl]-2-methylpropane-2-sulfonamide;N-[5-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]-2-methylpropane-2-sulfonamide;N'-(4-indol-1-ylphenyl)pentane-1,5-diamine;bis(2-methylpropane-2-sulfinate);dihydrochloride
• SMILES: CC(C)(C)OC(=O)NC1CCN(c2ccc(NCCCCCNS(=O)(=O)C(C)(C)C)cc2)C1.CC(C)(C)S(=O)(=O)NCCCCCNc1ccc(N2CCc3ccccc32)cc1.CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].C[C@@H]1CN(c2ccc(NCCCCCNS(=O)(=O)C(C)(C)C)cc2)C[C@H](C)O1.Cl.Cl.NCCCCCNc1ccc(-n2ccc3ccccc32)cc1.NCCCCCNc1ccc(N2CCC(N)C2)cc1
• InChI: InChI=1S/C24H42N4O4S.C23H33N3O2S.C21H37N3O3S.C19H23N3.C15H26N4.2C4H10O2S.2ClH/c1-23(2,3)32-22(29)27-20-14-17-28(18-20)21-12-10-19(11-13-21)25-15-8-7-9-16-26-33(30,31)24(4,5)6;1-23(2,3)29(27,28)25-17-8-4-7-16-24-20-11-13-21(14-12-20)26-18-15-19-9-5-6-10-22(19)26;1-17-15-24(16-18(2)27-17)20-11-9-19(10-12-20)22-13-7-6-8-14-23-28(25,26)21(3,4)5;20-13-4-1-5-14-21-17-8-10-18(11-9-17)22-15-12-16-6-2-3-7-19(16)22;16-9-2-1-3-10-18-14-4-6-15(7-5-14)19-11-8-13(17)12-19;2*1-4(2,3)7(5)6;;/h10-13,20,25-26H,7-9,14-18H2,1-6H3,(H,27,29);5-6,9-14,24-25H,4,7-8,15-18H2,1-3H3;9-12,17-18,22-23H,6-8,13-16H2,1-5H3;2-3,6-12,15,21H,1,4-5,13-14,20H2;4-7,13,18H,1-3,8-12,16-17H2;2*1-3H3,(H,5,6);2*1H/p-2/t;;17-,18+
• InChIKey: QRCMNAGLRANTNY-GLVJVWJASA-L
• XLogP: 20.48
• TPSA: 422.43 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 26
• Rotatable Bonds: 42
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2181.00
LogP ≤ 5	20.48
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	26

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': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[4-(3-aminopyrrolidin-1-yl)phenyl]pentane-1,5-diamine;tert-butyl N-[1-[4-[5-(tert-butylsulfonylamino)pentylamino]phenyl]pyrrolidin-3-yl]carbamate;N-[5-[4-(2,3-dihydroindol-1-yl)anilino]pentyl]-2-methylpropane-2-sulfonamide;N-[5-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]-2-methylpropane-2-sulfonamide;N'-(4-indol-1-ylphenyl)pentane-1,5-diamine;bis(2-methylpropane-2-sulfinate);dihydrochloride?

The IUPAC name of N'-[4-(3-aminopyrrolidin-1-yl)phenyl]pentane-1,5-diamine;tert-butyl N-[1-[4-[5-(tert-butylsulfonylamino)pentylamino]phenyl]pyrrolidin-3-yl]carbamate;N-[5-[4-(2,3-dihydroindol-1-yl)anilino]pentyl]-2-methylpropane-2-sulfonamide;N-[5-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]-2-methylpropane-2-sulfonamide;N'-(4-indol-1-ylphenyl)pentane-1,5-diamine;bis(2-methylpropane-2-sulfinate);dihydrochloride (CID 160564787) is N'-[4-(3-aminopyrrolidin-1-yl)phenyl]pentane-1,5-diamine;tert-butyl N-[1-[4-[5-(tert-butylsulfonylamino)pentylamino]phenyl]pyrrolidin-3-yl]carbamate;N-[5-[4-(2,3-dihydroindol-1-yl)anilino]pentyl]-2-methylpropane-2-sulfonamide;N-[5-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]-2-methylpropane-2-sulfonamide;N'-(4-indol-1-ylphenyl)pentane-1,5-diamine;bis(2-methylpropane-2-sulfinate);dihydrochloride.

What is the SMILES notation for N'-[4-(3-aminopyrrolidin-1-yl)phenyl]pentane-1,5-diamine;tert-butyl N-[1-[4-[5-(tert-butylsulfonylamino)pentylamino]phenyl]pyrrolidin-3-yl]carbamate;N-[5-[4-(2,3-dihydroindol-1-yl)anilino]pentyl]-2-methylpropane-2-sulfonamide;N-[5-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]-2-methylpropane-2-sulfonamide;N'-(4-indol-1-ylphenyl)pentane-1,5-diamine;bis(2-methylpropane-2-sulfinate);dihydrochloride?

The canonical SMILES for N'-[4-(3-aminopyrrolidin-1-yl)phenyl]pentane-1,5-diamine;tert-butyl N-[1-[4-[5-(tert-butylsulfonylamino)pentylamino]phenyl]pyrrolidin-3-yl]carbamate;N-[5-[4-(2,3-dihydroindol-1-yl)anilino]pentyl]-2-methylpropane-2-sulfonamide;N-[5-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]-2-methylpropane-2-sulfonamide;N'-(4-indol-1-ylphenyl)pentane-1,5-diamine;bis(2-methylpropane-2-sulfinate);dihydrochloride is CC(C)(C)OC(=O)NC1CCN(c2ccc(NCCCCCNS(=O)(=O)C(C)(C)C)cc2)C1.CC(C)(C)S(=O)(=O)NCCCCCNc1ccc(N2CCc3ccccc32)cc1.CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].C[C@@H]1CN(c2ccc(NCCCCCNS(=O)(=O)C(C)(C)C)cc2)C[C@H](C)O1.Cl.Cl.NCCCCCNc1ccc(-n2ccc3ccccc32)cc1.NCCCCCNc1ccc(N2CCC(N)C2)cc1.

What is the InChIKey of N'-[4-(3-aminopyrrolidin-1-yl)phenyl]pentane-1,5-diamine;tert-butyl N-[1-[4-[5-(tert-butylsulfonylamino)pentylamino]phenyl]pyrrolidin-3-yl]carbamate;N-[5-[4-(2,3-dihydroindol-1-yl)anilino]pentyl]-2-methylpropane-2-sulfonamide;N-[5-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]-2-methylpropane-2-sulfonamide;N'-(4-indol-1-ylphenyl)pentane-1,5-diamine;bis(2-methylpropane-2-sulfinate);dihydrochloride?

The InChIKey is QRCMNAGLRANTNY-GLVJVWJASA-L. The full InChI is InChI=1S/C24H42N4O4S.C23H33N3O2S.C21H37N3O3S.C19H23N3.C15H26N4.2C4H10O2S.2ClH/c1-23(2,3)32-22(29)27-20-14-17-28(18-20)21-12-10-19(11-13-21)25-15-8-7-9-16-26-33(30,31)24(4,5)6;1-23(2,3)29(27,28)25-17-8-4-7-16-24-20-11-13-21(14-12-20)26-18-15-19-9-5-6-10-22(19)26;1-17-15-24(16-18(2)27-17)20-11-9-19(10-12-20)22-13-7-6-8-14-23-28(25,26)21(3,4)5;20-13-4-1-5-14-21-17-8-10-18(11-9-17)22-15-12-16-6-2-3-7-19(16)22;16-9-2-1-3-10-18-14-4-6-15(7-5-14)19-11-8-13(17)12-19;2*1-4(2,3)7(5)6;;/h10-13,20,25-26H,7-9,14-18H2,1-6H3,(H,27,29);5-6,9-14,24-25H,4,7-8,15-18H2,1-3H3;9-12,17-18,22-23H,6-8,13-16H2,1-5H3;2-3,6-12,15,21H,1,4-5,13-14,20H2;4-7,13,18H,1-3,8-12,16-17H2;2*1-3H3,(H,5,6);2*1H/p-2/t;;17-,18+;;;;;;.

What are the key properties of N'-[4-(3-aminopyrrolidin-1-yl)phenyl]pentane-1,5-diamine;tert-butyl N-[1-[4-[5-(tert-butylsulfonylamino)pentylamino]phenyl]pyrrolidin-3-yl]carbamate;N-[5-[4-(2,3-dihydroindol-1-yl)anilino]pentyl]-2-methylpropane-2-sulfonamide;N-[5-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]-2-methylpropane-2-sulfonamide;N'-(4-indol-1-ylphenyl)pentane-1,5-diamine;bis(2-methylpropane-2-sulfinate);dihydrochloride?

N'-[4-(3-aminopyrrolidin-1-yl)phenyl]pentane-1,5-diamine;tert-butyl N-[1-[4-[5-(tert-butylsulfonylamino)pentylamino]phenyl]pyrrolidin-3-yl]carbamate;N-[5-[4-(2,3-dihydroindol-1-yl)anilino]pentyl]-2-methylpropane-2-sulfonamide;N-[5-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]-2-methylpropane-2-sulfonamide;N'-(4-indol-1-ylphenyl)pentane-1,5-diamine;bis(2-methylpropane-2-sulfinate);dihydrochloride has a molecular weight of 2181.00 g/mol, XLogP of 20.48, 42 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[4-(3-aminopyrrolidin-1-yl)phenyl]pentane-1,5-diamine;tert-butyl N-[1-[4-[5-(tert-butylsulfonylamino)pentylamino]phenyl]pyrrolidin-3-yl]carbamate;N-[5-[4-(2,3-dihydroindol-1-yl)anilino]pentyl]-2-methylpropane-2-sulfonamide;N-[5-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]-2-methylpropane-2-sulfonamide;N'-(4-indol-1-ylphenyl)pentane-1,5-diamine;bis(2-methylpropane-2-sulfinate);dihydrochloride is sourced from PubChem (CID 160564787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).