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'-(4-indol-1-ylphenyl)pentane-1,5-diamine;tris(2-methylpropane-2-sulfinate);N'-(4-pyrazol-1-ylphenyl)pentane-1,5-diamine;dihydrochloride

C107H173Cl2N18O12S5-3 — CID 157258700

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'-(4-indol-1-ylphenyl)pentane-1,5-diamine;tris(2-methylpropane-2-sulfinate);N'-(4-pyrazol-1-ylphenyl)pentane-1,5-diamine;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'-(4-indol-1-ylphenyl)pentane-1,5-diamine;tris(2-methylpropane-2-sulfinate);N'-(4-pyrazol-1-ylphenyl)pentane-1,5-diamine;dihydrochloride (PubChem CID 157258700) has the molecular formula C107H173Cl2N18O12S5-3 and a molecular weight of 2134.92 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'-(4-indol-1-ylphenyl)pentane-1,5-diamine;tris(2-methylpropane-2-sulfinate);N'-(4-pyrazol-1-ylphenyl)pentane-1,5-diamine;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'-(4-indol-1-ylphenyl)pentane-1,5-diamine;tris(2-methylpropane-2-sulfinate);N'-(4-pyrazol-1-ylphenyl)pentane-1,5-diamine;dihydrochloride
• PubChem CID: 157258700
• Molecular Formula: C107H173Cl2N18O12S5-3
• Molecular Weight: 2134.92 g/mol
• Exact Mass: 2132.15
• 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'-(4-indol-1-ylphenyl)pentane-1,5-diamine;tris(2-methylpropane-2-sulfinate);N'-(4-pyrazol-1-ylphenyl)pentane-1,5-diamine;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-].CC(C)(C)S(=O)[O-].Cl.Cl.NCCCCCNc1ccc(-n2ccc3ccccc32)cc1.NCCCCCNc1ccc(-n2cccn2)cc1.NCCCCCNc1ccc(N2CCC(N)C2)cc1
• InChI: InChI=1S/C24H42N4O4S.C23H33N3O2S.C19H23N3.C15H26N4.C14H20N4.3C4H10O2S.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;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;15-9-2-1-3-10-16-13-5-7-14(8-6-13)18-12-4-11-17-18;3*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;2-3,6-12,15,21H,1,4-5,13-14,20H2;4-7,13,18H,1-3,8-12,16-17H2;4-8,11-12,16H,1-3,9-10,15H2;3*1-3H3,(H,5,6);2*1H/p-3
• InChIKey: ROSVEOZTFPKCDH-UHFFFAOYSA-K
• XLogP: 19.96
• TPSA: 447.76 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 27
• Rotatable Bonds: 40
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2134.92
LogP ≤ 5	19.96
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	27

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'-(4-indol-1-ylphenyl)pentane-1,5-diamine;tris(2-methylpropane-2-sulfinate);N'-(4-pyrazol-1-ylphenyl)pentane-1,5-diamine;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'-(4-indol-1-ylphenyl)pentane-1,5-diamine;tris(2-methylpropane-2-sulfinate);N'-(4-pyrazol-1-ylphenyl)pentane-1,5-diamine;dihydrochloride (CID 157258700) 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'-(4-indol-1-ylphenyl)pentane-1,5-diamine;tris(2-methylpropane-2-sulfinate);N'-(4-pyrazol-1-ylphenyl)pentane-1,5-diamine;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'-(4-indol-1-ylphenyl)pentane-1,5-diamine;tris(2-methylpropane-2-sulfinate);N'-(4-pyrazol-1-ylphenyl)pentane-1,5-diamine;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'-(4-indol-1-ylphenyl)pentane-1,5-diamine;tris(2-methylpropane-2-sulfinate);N'-(4-pyrazol-1-ylphenyl)pentane-1,5-diamine;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-].CC(C)(C)S(=O)[O-].Cl.Cl.NCCCCCNc1ccc(-n2ccc3ccccc32)cc1.NCCCCCNc1ccc(-n2cccn2)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'-(4-indol-1-ylphenyl)pentane-1,5-diamine;tris(2-methylpropane-2-sulfinate);N'-(4-pyrazol-1-ylphenyl)pentane-1,5-diamine;dihydrochloride?

The InChIKey is ROSVEOZTFPKCDH-UHFFFAOYSA-K. The full InChI is InChI=1S/C24H42N4O4S.C23H33N3O2S.C19H23N3.C15H26N4.C14H20N4.3C4H10O2S.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;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;15-9-2-1-3-10-16-13-5-7-14(8-6-13)18-12-4-11-17-18;3*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;2-3,6-12,15,21H,1,4-5,13-14,20H2;4-7,13,18H,1-3,8-12,16-17H2;4-8,11-12,16H,1-3,9-10,15H2;3*1-3H3,(H,5,6);2*1H/p-3.

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'-(4-indol-1-ylphenyl)pentane-1,5-diamine;tris(2-methylpropane-2-sulfinate);N'-(4-pyrazol-1-ylphenyl)pentane-1,5-diamine;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'-(4-indol-1-ylphenyl)pentane-1,5-diamine;tris(2-methylpropane-2-sulfinate);N'-(4-pyrazol-1-ylphenyl)pentane-1,5-diamine;dihydrochloride has a molecular weight of 2134.92 g/mol, XLogP of 19.96, 40 rotatable bonds, 12 hydrogen bond donors, and 27 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'-(4-indol-1-ylphenyl)pentane-1,5-diamine;tris(2-methylpropane-2-sulfinate);N'-(4-pyrazol-1-ylphenyl)pentane-1,5-diamine;dihydrochloride is sourced from PubChem (CID 157258700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).