1-[4-(5-aminopentylamino)phenyl]pyrrolidin-2-one;3-(5-aminopentylamino)-N-propan-2-ylbenzenesulfonamide;4-(5-aminopentylamino)-N-propan-2-ylbenzenesulfonamide;N'-(3-cyclohexyloxyphenyl)pentane-1,5-diamine;N-[5-[3-(cyclopropylmethoxy)anilino]pentyl]propane-2-sulfonamide;N-[5-[4-(furan-2-yl)anilino]pentyl]propane-2-sulfonamide;N'-[4-(1,2-oxazol-5-yl)phenyl]pentane-1,5-diamine;pentakis(propane-2-sulfinate);N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide

C139H233F3N21O25S10-5 — CID 158844616

About 1-[4-(5-aminopentylamino)phenyl]pyrrolidin-2-one;3-(5-aminopentylamino)-N-propan-2-ylbenzenesulfonamide;4-(5-aminopentylamino)-N-propan-2-ylbenzenesulfonamide;N'-(3-cyclohexyloxyphenyl)pentane-1,5-diamine;N-[5-[3-(cyclopropylmethoxy)anilino]pentyl]propane-2-sulfonamide;N-[5-[4-(furan-2-yl)anilino]pentyl]propane-2-sulfonamide;N'-[4-(1,2-oxazol-5-yl)phenyl]pentane-1,5-diamine;pentakis(propane-2-sulfinate);N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide

1-[4-(5-aminopentylamino)phenyl]pyrrolidin-2-one;3-(5-aminopentylamino)-N-propan-2-ylbenzenesulfonamide;4-(5-aminopentylamino)-N-propan-2-ylbenzenesulfonamide;N'-(3-cyclohexyloxyphenyl)pentane-1,5-diamine;N-[5-[3-(cyclopropylmethoxy)anilino]pentyl]propane-2-sulfonamide;N-[5-[4-(furan-2-yl)anilino]pentyl]propane-2-sulfonamide;N'-[4-(1,2-oxazol-5-yl)phenyl]pentane-1,5-diamine;pentakis(propane-2-sulfinate);N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide (PubChem CID 158844616) has the molecular formula C139H233F3N21O25S10-5 and a molecular weight of 2976.18 g/mol. Its IUPAC name is 1-[4-(5-aminopentylamino)phenyl]pyrrolidin-2-one;3-(5-aminopentylamino)-N-propan-2-ylbenzenesulfonamide;4-(5-aminopentylamino)-N-propan-2-ylbenzenesulfonamide;N'-(3-cyclohexyloxyphenyl)pentane-1,5-diamine;N-[5-[3-(cyclopropylmethoxy)anilino]pentyl]propane-2-sulfonamide;N-[5-[4-(furan-2-yl)anilino]pentyl]propane-2-sulfonamide;N'-[4-(1,2-oxazol-5-yl)phenyl]pentane-1,5-diamine;pentakis(propane-2-sulfinate);N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide.

Molecular Properties

• Compound Name: 1-[4-(5-aminopentylamino)phenyl]pyrrolidin-2-one;3-(5-aminopentylamino)-N-propan-2-ylbenzenesulfonamide;4-(5-aminopentylamino)-N-propan-2-ylbenzenesulfonamide;N'-(3-cyclohexyloxyphenyl)pentane-1,5-diamine;N-[5-[3-(cyclopropylmethoxy)anilino]pentyl]propane-2-sulfonamide;N-[5-[4-(furan-2-yl)anilino]pentyl]propane-2-sulfonamide;N'-[4-(1,2-oxazol-5-yl)phenyl]pentane-1,5-diamine;pentakis(propane-2-sulfinate);N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide
• PubChem CID: 158844616
• Molecular Formula: C139H233F3N21O25S10-5
• Molecular Weight: 2976.18 g/mol
• Exact Mass: 2973.48
• IUPAC Name: 1-[4-(5-aminopentylamino)phenyl]pyrrolidin-2-one;3-(5-aminopentylamino)-N-propan-2-ylbenzenesulfonamide;4-(5-aminopentylamino)-N-propan-2-ylbenzenesulfonamide;N'-(3-cyclohexyloxyphenyl)pentane-1,5-diamine;N-[5-[3-(cyclopropylmethoxy)anilino]pentyl]propane-2-sulfonamide;N-[5-[4-(furan-2-yl)anilino]pentyl]propane-2-sulfonamide;N'-[4-(1,2-oxazol-5-yl)phenyl]pentane-1,5-diamine;pentakis(propane-2-sulfinate);N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide
• SMILES: CC(C)NS(=O)(=O)c1ccc(NCCCCCN)cc1.CC(C)NS(=O)(=O)c1cccc(NCCCCCN)c1.CC(C)S(=O)(=O)NCCCCCNc1ccc(-c2ccco2)cc1.CC(C)S(=O)(=O)NCCCCCNc1ccc(C(F)(F)F)cn1.CC(C)S(=O)(=O)NCCCCCNc1cccc(OCC2CC2)c1.CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].NCCCCCNc1ccc(-c2ccno2)cc1.NCCCCCNc1ccc(N2CCCC2=O)cc1.NCCCCCNc1cccc(OC2CCCCC2)c1
• InChI: InChI=1S/C18H26N2O3S.C18H30N2O3S.C17H28N2O.C15H23N3O.C14H22F3N3O2S.2C14H25N3O2S.C14H19N3O.5C3H8O2S/c1-15(2)24(21,22)20-13-5-3-4-12-19-17-10-8-16(9-11-17)18-7-6-14-23-18;1-15(2)24(21,22)20-12-5-3-4-11-19-17-7-6-8-18(13-17)23-14-16-9-10-16;18-12-5-2-6-13-19-15-8-7-11-17(14-15)20-16-9-3-1-4-10-16;16-10-2-1-3-11-17-13-6-8-14(9-7-13)18-12-4-5-15(18)19;1-11(2)23(21,22)20-9-5-3-4-8-18-13-7-6-12(10-19-13)14(15,16)17;1-12(2)17-20(18,19)14-8-6-13(7-9-14)16-11-5-3-4-10-15;1-12(2)17-20(18,19)14-8-6-7-13(11-14)16-10-5-3-4-9-15;15-9-2-1-3-10-16-13-6-4-12(5-7-13)14-8-11-17-18-14;5*1-3(2)6(4)5/h6-11,14-15,19-20H,3-5,12-13H2,1-2H3;6-8,13,15-16,19-20H,3-5,9-12,14H2,1-2H3;7-8,11,14,16,19H,1-6,9-10,12-13,18H2;6-9,17H,1-5,10-12,16H2;6-7,10-11,20H,3-5,8-9H2,1-2H3,(H,18,19);6-9,12,16-17H,3-5,10-11,15H2,1-2H3;6-8,11-12,16-17H,3-5,9-10,15H2,1-2H3;4-8,11,16H,1-3,9-10,15H2;5*3H,1-2H3,(H,4,5)/p-5
• InChIKey: BQZDZXPMEWOLQW-UHFFFAOYSA-I
• XLogP: 24.63
• TPSA: 748.67 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 40
• Rotatable Bonds: 76
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2976.18
LogP ≤ 5	24.63
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-aminopentylamino)phenyl]pyrrolidin-2-one;3-(5-aminopentylamino)-N-propan-2-ylbenzenesulfonamide;4-(5-aminopentylamino)-N-propan-2-ylbenzenesulfonamide;N'-(3-cyclohexyloxyphenyl)pentane-1,5-diamine;N-[5-[3-(cyclopropylmethoxy)anilino]pentyl]propane-2-sulfonamide;N-[5-[4-(furan-2-yl)anilino]pentyl]propane-2-sulfonamide;N'-[4-(1,2-oxazol-5-yl)phenyl]pentane-1,5-diamine;pentakis(propane-2-sulfinate);N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide?

The IUPAC name of 1-[4-(5-aminopentylamino)phenyl]pyrrolidin-2-one;3-(5-aminopentylamino)-N-propan-2-ylbenzenesulfonamide;4-(5-aminopentylamino)-N-propan-2-ylbenzenesulfonamide;N'-(3-cyclohexyloxyphenyl)pentane-1,5-diamine;N-[5-[3-(cyclopropylmethoxy)anilino]pentyl]propane-2-sulfonamide;N-[5-[4-(furan-2-yl)anilino]pentyl]propane-2-sulfonamide;N'-[4-(1,2-oxazol-5-yl)phenyl]pentane-1,5-diamine;pentakis(propane-2-sulfinate);N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide (CID 158844616) is 1-[4-(5-aminopentylamino)phenyl]pyrrolidin-2-one;3-(5-aminopentylamino)-N-propan-2-ylbenzenesulfonamide;4-(5-aminopentylamino)-N-propan-2-ylbenzenesulfonamide;N'-(3-cyclohexyloxyphenyl)pentane-1,5-diamine;N-[5-[3-(cyclopropylmethoxy)anilino]pentyl]propane-2-sulfonamide;N-[5-[4-(furan-2-yl)anilino]pentyl]propane-2-sulfonamide;N'-[4-(1,2-oxazol-5-yl)phenyl]pentane-1,5-diamine;pentakis(propane-2-sulfinate);N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide.

What is the SMILES notation for 1-[4-(5-aminopentylamino)phenyl]pyrrolidin-2-one;3-(5-aminopentylamino)-N-propan-2-ylbenzenesulfonamide;4-(5-aminopentylamino)-N-propan-2-ylbenzenesulfonamide;N'-(3-cyclohexyloxyphenyl)pentane-1,5-diamine;N-[5-[3-(cyclopropylmethoxy)anilino]pentyl]propane-2-sulfonamide;N-[5-[4-(furan-2-yl)anilino]pentyl]propane-2-sulfonamide;N'-[4-(1,2-oxazol-5-yl)phenyl]pentane-1,5-diamine;pentakis(propane-2-sulfinate);N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide?

The canonical SMILES for 1-[4-(5-aminopentylamino)phenyl]pyrrolidin-2-one;3-(5-aminopentylamino)-N-propan-2-ylbenzenesulfonamide;4-(5-aminopentylamino)-N-propan-2-ylbenzenesulfonamide;N'-(3-cyclohexyloxyphenyl)pentane-1,5-diamine;N-[5-[3-(cyclopropylmethoxy)anilino]pentyl]propane-2-sulfonamide;N-[5-[4-(furan-2-yl)anilino]pentyl]propane-2-sulfonamide;N'-[4-(1,2-oxazol-5-yl)phenyl]pentane-1,5-diamine;pentakis(propane-2-sulfinate);N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide is CC(C)NS(=O)(=O)c1ccc(NCCCCCN)cc1.CC(C)NS(=O)(=O)c1cccc(NCCCCCN)c1.CC(C)S(=O)(=O)NCCCCCNc1ccc(-c2ccco2)cc1.CC(C)S(=O)(=O)NCCCCCNc1ccc(C(F)(F)F)cn1.CC(C)S(=O)(=O)NCCCCCNc1cccc(OCC2CC2)c1.CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].NCCCCCNc1ccc(-c2ccno2)cc1.NCCCCCNc1ccc(N2CCCC2=O)cc1.NCCCCCNc1cccc(OC2CCCCC2)c1.

What is the InChIKey of 1-[4-(5-aminopentylamino)phenyl]pyrrolidin-2-one;3-(5-aminopentylamino)-N-propan-2-ylbenzenesulfonamide;4-(5-aminopentylamino)-N-propan-2-ylbenzenesulfonamide;N'-(3-cyclohexyloxyphenyl)pentane-1,5-diamine;N-[5-[3-(cyclopropylmethoxy)anilino]pentyl]propane-2-sulfonamide;N-[5-[4-(furan-2-yl)anilino]pentyl]propane-2-sulfonamide;N'-[4-(1,2-oxazol-5-yl)phenyl]pentane-1,5-diamine;pentakis(propane-2-sulfinate);N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide?

The InChIKey is BQZDZXPMEWOLQW-UHFFFAOYSA-I. The full InChI is InChI=1S/C18H26N2O3S.C18H30N2O3S.C17H28N2O.C15H23N3O.C14H22F3N3O2S.2C14H25N3O2S.C14H19N3O.5C3H8O2S/c1-15(2)24(21,22)20-13-5-3-4-12-19-17-10-8-16(9-11-17)18-7-6-14-23-18;1-15(2)24(21,22)20-12-5-3-4-11-19-17-7-6-8-18(13-17)23-14-16-9-10-16;18-12-5-2-6-13-19-15-8-7-11-17(14-15)20-16-9-3-1-4-10-16;16-10-2-1-3-11-17-13-6-8-14(9-7-13)18-12-4-5-15(18)19;1-11(2)23(21,22)20-9-5-3-4-8-18-13-7-6-12(10-19-13)14(15,16)17;1-12(2)17-20(18,19)14-8-6-13(7-9-14)16-11-5-3-4-10-15;1-12(2)17-20(18,19)14-8-6-7-13(11-14)16-10-5-3-4-9-15;15-9-2-1-3-10-16-13-6-4-12(5-7-13)14-8-11-17-18-14;5*1-3(2)6(4)5/h6-11,14-15,19-20H,3-5,12-13H2,1-2H3;6-8,13,15-16,19-20H,3-5,9-12,14H2,1-2H3;7-8,11,14,16,19H,1-6,9-10,12-13,18H2;6-9,17H,1-5,10-12,16H2;6-7,10-11,20H,3-5,8-9H2,1-2H3,(H,18,19);6-9,12,16-17H,3-5,10-11,15H2,1-2H3;6-8,11-12,16-17H,3-5,9-10,15H2,1-2H3;4-8,11,16H,1-3,9-10,15H2;5*3H,1-2H3,(H,4,5)/p-5.

What are the key properties of 1-[4-(5-aminopentylamino)phenyl]pyrrolidin-2-one;3-(5-aminopentylamino)-N-propan-2-ylbenzenesulfonamide;4-(5-aminopentylamino)-N-propan-2-ylbenzenesulfonamide;N'-(3-cyclohexyloxyphenyl)pentane-1,5-diamine;N-[5-[3-(cyclopropylmethoxy)anilino]pentyl]propane-2-sulfonamide;N-[5-[4-(furan-2-yl)anilino]pentyl]propane-2-sulfonamide;N'-[4-(1,2-oxazol-5-yl)phenyl]pentane-1,5-diamine;pentakis(propane-2-sulfinate);N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide?

1-[4-(5-aminopentylamino)phenyl]pyrrolidin-2-one;3-(5-aminopentylamino)-N-propan-2-ylbenzenesulfonamide;4-(5-aminopentylamino)-N-propan-2-ylbenzenesulfonamide;N'-(3-cyclohexyloxyphenyl)pentane-1,5-diamine;N-[5-[3-(cyclopropylmethoxy)anilino]pentyl]propane-2-sulfonamide;N-[5-[4-(furan-2-yl)anilino]pentyl]propane-2-sulfonamide;N'-[4-(1,2-oxazol-5-yl)phenyl]pentane-1,5-diamine;pentakis(propane-2-sulfinate);N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide has a molecular weight of 2976.18 g/mol, XLogP of 24.63, 76 rotatable bonds, 18 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(5-aminopentylamino)phenyl]pyrrolidin-2-one;3-(5-aminopentylamino)-N-propan-2-ylbenzenesulfonamide;4-(5-aminopentylamino)-N-propan-2-ylbenzenesulfonamide;N'-(3-cyclohexyloxyphenyl)pentane-1,5-diamine;N-[5-[3-(cyclopropylmethoxy)anilino]pentyl]propane-2-sulfonamide;N-[5-[4-(furan-2-yl)anilino]pentyl]propane-2-sulfonamide;N'-[4-(1,2-oxazol-5-yl)phenyl]pentane-1,5-diamine;pentakis(propane-2-sulfinate);N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide is sourced from PubChem (CID 158844616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).