(2S)-1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidine-2-carboxamide;N-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydrothiadiazol-4-yl)aniline;N-[(4-aminocyclohexyl)methyl]-1H-indazol-5-amine;N-[(4-aminocyclohexyl)methyl]-1H-indol-5-amine;1-N-[(4-aminocyclohexyl)methyl]-4-N-phenylbenzene-1,4-diamine;N-[4-[[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide;pentakis(2-methylpropane-2-sulfinate)

C134H226N21O15S7Si2-5 — CID 158602098

About (2S)-1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidine-2-carboxamide;N-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydrothiadiazol-4-yl)aniline;N-[(4-aminocyclohexyl)methyl]-1H-indazol-5-amine;N-[(4-aminocyclohexyl)methyl]-1H-indol-5-amine;1-N-[(4-aminocyclohexyl)methyl]-4-N-phenylbenzene-1,4-diamine;N-[4-[[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide;pentakis(2-methylpropane-2-sulfinate)

(2S)-1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidine-2-carboxamide;N-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydrothiadiazol-4-yl)aniline;N-[(4-aminocyclohexyl)methyl]-1H-indazol-5-amine;N-[(4-aminocyclohexyl)methyl]-1H-indol-5-amine;1-N-[(4-aminocyclohexyl)methyl]-4-N-phenylbenzene-1,4-diamine;N-[4-[[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide;pentakis(2-methylpropane-2-sulfinate) (PubChem CID 158602098) has the molecular formula C134H226N21O15S7Si2-5 and a molecular weight of 2652.05 g/mol. Its IUPAC name is (2S)-1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidine-2-carboxamide;N-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydrothiadiazol-4-yl)aniline;N-[(4-aminocyclohexyl)methyl]-1H-indazol-5-amine;N-[(4-aminocyclohexyl)methyl]-1H-indol-5-amine;1-N-[(4-aminocyclohexyl)methyl]-4-N-phenylbenzene-1,4-diamine;N-[4-[[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide;pentakis(2-methylpropane-2-sulfinate).

Molecular Properties

• Compound Name: (2S)-1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidine-2-carboxamide;N-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydrothiadiazol-4-yl)aniline;N-[(4-aminocyclohexyl)methyl]-1H-indazol-5-amine;N-[(4-aminocyclohexyl)methyl]-1H-indol-5-amine;1-N-[(4-aminocyclohexyl)methyl]-4-N-phenylbenzene-1,4-diamine;N-[4-[[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide;pentakis(2-methylpropane-2-sulfinate)
• PubChem CID: 158602098
• Molecular Formula: C134H226N21O15S7Si2-5
• Molecular Weight: 2652.05 g/mol
• Exact Mass: 2649.52
• IUPAC Name: (2S)-1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidine-2-carboxamide;N-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydrothiadiazol-4-yl)aniline;N-[(4-aminocyclohexyl)methyl]-1H-indazol-5-amine;N-[(4-aminocyclohexyl)methyl]-1H-indol-5-amine;1-N-[(4-aminocyclohexyl)methyl]-4-N-phenylbenzene-1,4-diamine;N-[4-[[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide;pentakis(2-methylpropane-2-sulfinate)
• SMILES: CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)c1ccc(NCC2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1.NC(=O)[C@@H]1CCCN1c1ccc(NCC2CCC(N)CC2)cc1.NC1CCC(CNc2ccc(C3=CSNN3)cc2)CC1.NC1CCC(CNc2ccc(Nc3ccccc3)cc2)CC1.NC1CCC(CNc2ccc3[nH]ccc3c2)CC1.NC1CCC(CNc2ccc3[nH]ncc3c2)CC1
• InChI: InChI=1S/C33H65N3O4SSi2.C19H25N3.C18H28N4O.C15H22N4S.C15H21N3.C14H20N4.5C4H10O2S/c1-31(2,3)41(37,38)35-29-16-14-27(15-17-29)26-34-28-18-20-30(21-19-28)36(22-24-39-42(10,11)32(4,5)6)23-25-40-43(12,13)33(7,8)9;20-16-8-6-15(7-9-16)14-21-17-10-12-19(13-11-17)22-18-4-2-1-3-5-18;19-14-5-3-13(4-6-14)12-21-15-7-9-16(10-8-15)22-11-1-2-17(22)18(20)23;16-13-5-1-11(2-6-13)9-17-14-7-3-12(4-8-14)15-10-20-19-18-15;16-13-3-1-11(2-4-13)10-18-14-5-6-15-12(9-14)7-8-17-15;15-12-3-1-10(2-4-12)8-16-13-5-6-14-11(7-13)9-17-18-14;5*1-4(2,3)7(5)6/h18-21,27,29,34-35H,14-17,22-26H2,1-13H3;1-5,10-13,15-16,21-22H,6-9,14,20H2;7-10,13-14,17,21H,1-6,11-12,19H2,(H2,20,23);3-4,7-8,10-11,13,17-19H,1-2,5-6,9,16H2;5-9,11,13,17-18H,1-4,10,16H2;5-7,9-10,12,16H,1-4,8,15H2,(H,17,18);5*1-3H3,(H,5,6)/p-5/t;;13?,14?,17-;;;;;;;;/m..0......../s1
• InChIKey: PPXHAQNOXLTFHJ-JCSWYHJSSA-I
• XLogP: 26.23
• TPSA: 597.69 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 33
• Rotatable Bonds: 34
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2652.05
LogP ≤ 5	26.23
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidine-2-carboxamide;N-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydrothiadiazol-4-yl)aniline;N-[(4-aminocyclohexyl)methyl]-1H-indazol-5-amine;N-[(4-aminocyclohexyl)methyl]-1H-indol-5-amine;1-N-[(4-aminocyclohexyl)methyl]-4-N-phenylbenzene-1,4-diamine;N-[4-[[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide;pentakis(2-methylpropane-2-sulfinate)?

The IUPAC name of (2S)-1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidine-2-carboxamide;N-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydrothiadiazol-4-yl)aniline;N-[(4-aminocyclohexyl)methyl]-1H-indazol-5-amine;N-[(4-aminocyclohexyl)methyl]-1H-indol-5-amine;1-N-[(4-aminocyclohexyl)methyl]-4-N-phenylbenzene-1,4-diamine;N-[4-[[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide;pentakis(2-methylpropane-2-sulfinate) (CID 158602098) is (2S)-1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidine-2-carboxamide;N-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydrothiadiazol-4-yl)aniline;N-[(4-aminocyclohexyl)methyl]-1H-indazol-5-amine;N-[(4-aminocyclohexyl)methyl]-1H-indol-5-amine;1-N-[(4-aminocyclohexyl)methyl]-4-N-phenylbenzene-1,4-diamine;N-[4-[[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide;pentakis(2-methylpropane-2-sulfinate).

What is the SMILES notation for (2S)-1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidine-2-carboxamide;N-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydrothiadiazol-4-yl)aniline;N-[(4-aminocyclohexyl)methyl]-1H-indazol-5-amine;N-[(4-aminocyclohexyl)methyl]-1H-indol-5-amine;1-N-[(4-aminocyclohexyl)methyl]-4-N-phenylbenzene-1,4-diamine;N-[4-[[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide;pentakis(2-methylpropane-2-sulfinate)?

The canonical SMILES for (2S)-1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidine-2-carboxamide;N-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydrothiadiazol-4-yl)aniline;N-[(4-aminocyclohexyl)methyl]-1H-indazol-5-amine;N-[(4-aminocyclohexyl)methyl]-1H-indol-5-amine;1-N-[(4-aminocyclohexyl)methyl]-4-N-phenylbenzene-1,4-diamine;N-[4-[[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide;pentakis(2-methylpropane-2-sulfinate) is CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)c1ccc(NCC2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1.NC(=O)[C@@H]1CCCN1c1ccc(NCC2CCC(N)CC2)cc1.NC1CCC(CNc2ccc(C3=CSNN3)cc2)CC1.NC1CCC(CNc2ccc(Nc3ccccc3)cc2)CC1.NC1CCC(CNc2ccc3[nH]ccc3c2)CC1.NC1CCC(CNc2ccc3[nH]ncc3c2)CC1.

What is the InChIKey of (2S)-1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidine-2-carboxamide;N-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydrothiadiazol-4-yl)aniline;N-[(4-aminocyclohexyl)methyl]-1H-indazol-5-amine;N-[(4-aminocyclohexyl)methyl]-1H-indol-5-amine;1-N-[(4-aminocyclohexyl)methyl]-4-N-phenylbenzene-1,4-diamine;N-[4-[[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide;pentakis(2-methylpropane-2-sulfinate)?

The InChIKey is PPXHAQNOXLTFHJ-JCSWYHJSSA-I. The full InChI is InChI=1S/C33H65N3O4SSi2.C19H25N3.C18H28N4O.C15H22N4S.C15H21N3.C14H20N4.5C4H10O2S/c1-31(2,3)41(37,38)35-29-16-14-27(15-17-29)26-34-28-18-20-30(21-19-28)36(22-24-39-42(10,11)32(4,5)6)23-25-40-43(12,13)33(7,8)9;20-16-8-6-15(7-9-16)14-21-17-10-12-19(13-11-17)22-18-4-2-1-3-5-18;19-14-5-3-13(4-6-14)12-21-15-7-9-16(10-8-15)22-11-1-2-17(22)18(20)23;16-13-5-1-11(2-6-13)9-17-14-7-3-12(4-8-14)15-10-20-19-18-15;16-13-3-1-11(2-4-13)10-18-14-5-6-15-12(9-14)7-8-17-15;15-12-3-1-10(2-4-12)8-16-13-5-6-14-11(7-13)9-17-18-14;5*1-4(2,3)7(5)6/h18-21,27,29,34-35H,14-17,22-26H2,1-13H3;1-5,10-13,15-16,21-22H,6-9,14,20H2;7-10,13-14,17,21H,1-6,11-12,19H2,(H2,20,23);3-4,7-8,10-11,13,17-19H,1-2,5-6,9,16H2;5-9,11,13,17-18H,1-4,10,16H2;5-7,9-10,12,16H,1-4,8,15H2,(H,17,18);5*1-3H3,(H,5,6)/p-5/t;;13?,14?,17-;;;;;;;;/m..0......../s1.

What are the key properties of (2S)-1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidine-2-carboxamide;N-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydrothiadiazol-4-yl)aniline;N-[(4-aminocyclohexyl)methyl]-1H-indazol-5-amine;N-[(4-aminocyclohexyl)methyl]-1H-indol-5-amine;1-N-[(4-aminocyclohexyl)methyl]-4-N-phenylbenzene-1,4-diamine;N-[4-[[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide;pentakis(2-methylpropane-2-sulfinate)?

(2S)-1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidine-2-carboxamide;N-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydrothiadiazol-4-yl)aniline;N-[(4-aminocyclohexyl)methyl]-1H-indazol-5-amine;N-[(4-aminocyclohexyl)methyl]-1H-indol-5-amine;1-N-[(4-aminocyclohexyl)methyl]-4-N-phenylbenzene-1,4-diamine;N-[4-[[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide;pentakis(2-methylpropane-2-sulfinate) has a molecular weight of 2652.05 g/mol, XLogP of 26.23, 34 rotatable bonds, 18 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidine-2-carboxamide;N-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydrothiadiazol-4-yl)aniline;N-[(4-aminocyclohexyl)methyl]-1H-indazol-5-amine;N-[(4-aminocyclohexyl)methyl]-1H-indol-5-amine;1-N-[(4-aminocyclohexyl)methyl]-4-N-phenylbenzene-1,4-diamine;N-[4-[[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide;pentakis(2-methylpropane-2-sulfinate) is sourced from PubChem (CID 158602098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).