About N-[[4-[4-(2-aminoethyl)piperidin-1-yl]-2-(aminomethyl)-3-(2H-tetrazol-5-yl)phenyl]methyl]cyclopentanamine;4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-butan-2-yl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-(aminomethyl)-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4R)-4-(aminomethyl)-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[4-(aminomethyl)piperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
N-[[4-[4-(2-aminoethyl)piperidin-1-yl]-2-(aminomethyl)-3-(2H-tetrazol-5-yl)phenyl]methyl]cyclopentanamine;4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-butan-2-yl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-(aminomethyl)-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4R)-4-(aminomethyl)-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[4-(aminomethyl)piperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide (PubChem CID 157487961) has the molecular formula C108H170F4N44O24S10
and a molecular weight of 2865.49 g/mol. Its IUPAC name is N-[[4-[4-(2-aminoethyl)piperidin-1-yl]-2-(aminomethyl)-3-(2H-tetrazol-5-yl)phenyl]methyl]cyclopentanamine;4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-butan-2-yl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-(aminomethyl)-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4R)-4-(aminomethyl)-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[4-(aminomethyl)piperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide.
Frequently Asked Questions
What is the IUPAC name of N-[[4-[4-(2-aminoethyl)piperidin-1-yl]-2-(aminomethyl)-3-(2H-tetrazol-5-yl)phenyl]methyl]cyclopentanamine;4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-butan-2-yl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-(aminomethyl)-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4R)-4-(aminomethyl)-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[4-(aminomethyl)piperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide?
The IUPAC name of N-[[4-[4-(2-aminoethyl)piperidin-1-yl]-2-(aminomethyl)-3-(2H-tetrazol-5-yl)phenyl]methyl]cyclopentanamine;4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-butan-2-yl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-(aminomethyl)-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4R)-4-(aminomethyl)-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[4-(aminomethyl)piperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide (CID 157487961) is N-[[4-[4-(2-aminoethyl)piperidin-1-yl]-2-(aminomethyl)-3-(2H-tetrazol-5-yl)phenyl]methyl]cyclopentanamine;4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-butan-2-yl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-(aminomethyl)-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4R)-4-(aminomethyl)-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[4-(aminomethyl)piperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide.
What is the SMILES notation for N-[[4-[4-(2-aminoethyl)piperidin-1-yl]-2-(aminomethyl)-3-(2H-tetrazol-5-yl)phenyl]methyl]cyclopentanamine;4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-butan-2-yl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-(aminomethyl)-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4R)-4-(aminomethyl)-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[4-(aminomethyl)piperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide?
The canonical SMILES for N-[[4-[4-(2-aminoethyl)piperidin-1-yl]-2-(aminomethyl)-3-(2H-tetrazol-5-yl)phenyl]methyl]cyclopentanamine;4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-butan-2-yl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-(aminomethyl)-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4R)-4-(aminomethyl)-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[4-(aminomethyl)piperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide is CC[C@@H](C)NS(=O)(=O)c1ccc(N2CC[C@@H](N)[C@@H](F)C2)c(C2=NCN=N2)c1S(N)(=O)=O.CC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(CN)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O.CC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC[C@@H](CN)[C@@H](F)C2)c(C2=NCN=N2)c1S(N)(=O)=O.CC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC[C@@H](N)[C@@H](F)C2)c(C2=NCN=N2)c1S(N)(=O)=O.CC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC[C@H](CN)[C@@H](F)C2)c(C2=NCN=N2)c1S(N)(=O)=O.NCCC1CCN(c2ccc(CNC3CCCC3)c(CN)c2-c2nn[nH]n2)CC1.
What is the InChIKey of N-[[4-[4-(2-aminoethyl)piperidin-1-yl]-2-(aminomethyl)-3-(2H-tetrazol-5-yl)phenyl]methyl]cyclopentanamine;4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-butan-2-yl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-(aminomethyl)-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4R)-4-(aminomethyl)-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[4-(aminomethyl)piperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide?
The InChIKey is BWXZTBAQGNPZFB-YRLRZOHSSA-N. The full InChI is InChI=1S/C21H34N8.2C18H28FN7O5S2.C17H26FN7O5S2.C17H26FN7O4S2.C17H28N8O5S2/c22-10-7-15-8-11-29(12-9-15)19-6-5-16(14-24-17-3-1-2-4-17)18(13-23)20(19)21-25-27-28-26-21;2*1-2-12(27)8-24-33(30,31)15-4-3-14(26-6-5-11(7-20)13(19)9-26)16(17(15)32(21,28)29)18-22-10-23-25-18;1-2-10(26)7-23-32(29,30)14-4-3-13(25-6-5-12(19)11(18)8-25)15(16(14)31(20,27)28)17-21-9-22-24-17;1-3-10(2)24-31(28,29)14-5-4-13(25-7-6-12(19)11(18)8-25)15(16(14)30(20,26)27)17-21-9-22-23-17;1-2-12(26)10-20-32(29,30)14-4-3-13(25-7-5-11(9-18)6-8-25)15(16(14)31(19,27)28)17-21-23-24-22-17/h5-6,15,17,24H,1-4,7-14,22-23H2,(H,25,26,27,28);2*3-4,11-13,24,27H,2,5-10,20H2,1H3,(H2,21,28,29);3-4,10-12,23,26H,2,5-9,19H2,1H3,(H2,20,27,28);4-5,10-12,24H,3,6-9,19H2,1-2H3,(H2,20,26,27);3-4,11-12,20,26H,2,5-10,18H2,1H3,(H2,19,27,28)(H,21,22,23,24)/t;11-,12+,13-;11-,12-,13+;2*10-,11+,12-;12-/m.01111/s1.
What are the key properties of N-[[4-[4-(2-aminoethyl)piperidin-1-yl]-2-(aminomethyl)-3-(2H-tetrazol-5-yl)phenyl]methyl]cyclopentanamine;4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-butan-2-yl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-(aminomethyl)-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4R)-4-(aminomethyl)-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[4-(aminomethyl)piperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide?
N-[[4-[4-(2-aminoethyl)piperidin-1-yl]-2-(aminomethyl)-3-(2H-tetrazol-5-yl)phenyl]methyl]cyclopentanamine;4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-butan-2-yl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-(aminomethyl)-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4R)-4-(aminomethyl)-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[4-(aminomethyl)piperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide has a molecular weight of 2865.49 g/mol, XLogP of -0.10, 50 rotatable bonds, 24 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(2-aminoethyl)piperidin-1-yl]-2-(aminomethyl)-3-(2H-tetrazol-5-yl)phenyl]methyl]cyclopentanamine;4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-butan-2-yl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4S)-4-(aminomethyl)-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[(3R,4R)-4-(aminomethyl)-3-fluoropiperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;4-[4-(aminomethyl)piperidin-1-yl]-1-N-[(2R)-2-hydroxybutyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide is sourced from PubChem (CID 157487961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).