5-[6-[4-[[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methyl]cyclohexyl]-2-methylsulfonyl-3-(trifluoromethyl)phenyl]-2H-tetrazole;(2S)-2-[[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]methyl]morpholine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-2-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine;trimethyl-[2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]ethyl]azanium

C126H154F15N28O11S5+ — CID 159985311

About 5-[6-[4-[[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methyl]cyclohexyl]-2-methylsulfonyl-3-(trifluoromethyl)phenyl]-2H-tetrazole;(2S)-2-[[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]methyl]morpholine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-2-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine;trimethyl-[2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]ethyl]azanium

5-[6-[4-[[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methyl]cyclohexyl]-2-methylsulfonyl-3-(trifluoromethyl)phenyl]-2H-tetrazole;(2S)-2-[[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]methyl]morpholine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-2-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine;trimethyl-[2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]ethyl]azanium (PubChem CID 159985311) has the molecular formula C126H154F15N28O11S5+ and a molecular weight of 2682.11 g/mol. Its IUPAC name is 5-[6-[4-[[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methyl]cyclohexyl]-2-methylsulfonyl-3-(trifluoromethyl)phenyl]-2H-tetrazole;(2S)-2-[[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]methyl]morpholine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-2-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine;trimethyl-[2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]ethyl]azanium.

Molecular Properties

• Compound Name: 5-[6-[4-[[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methyl]cyclohexyl]-2-methylsulfonyl-3-(trifluoromethyl)phenyl]-2H-tetrazole;(2S)-2-[[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]methyl]morpholine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-2-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine;trimethyl-[2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]ethyl]azanium
• PubChem CID: 159985311
• Molecular Formula: C126H154F15N28O11S5+
• Molecular Weight: 2682.11 g/mol
• Exact Mass: 2680.07
• IUPAC Name: 5-[6-[4-[[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methyl]cyclohexyl]-2-methylsulfonyl-3-(trifluoromethyl)phenyl]-2H-tetrazole;(2S)-2-[[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]methyl]morpholine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-2-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine;trimethyl-[2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]ethyl]azanium
• SMILES: CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(CC4CCCCN4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(C[C@@H]4CNCCO4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(C[C@H]4CCCN4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CC[C@H]4CCC[C@H]4C3)CC2)c1-c1nn[nH]n1.C[N+](C)(C)CCN1CCC(c2ccc(-c3ccc(C(F)(F)F)c(S(C)(=O)=O)c3-c3nn[nH]n3)cc2)CC1
• InChI: InChI=1S/C26H31F3N6O2S.C25H29F3N6O3S.C25H29F3N6O2S.C25H32F3N6O2S.C25H33F3N4O2S/c1-38(36,37)24-22(26(27,28)29)10-9-21(23(24)25-31-33-34-32-25)19-7-5-17(6-8-19)18-11-14-35(15-12-18)16-20-4-2-3-13-30-20;1-38(35,36)23-21(25(26,27)28)7-6-20(22(23)24-30-32-33-31-24)18-4-2-16(3-5-18)17-8-11-34(12-9-17)15-19-14-29-10-13-37-19;1-37(35,36)23-21(25(26,27)28)9-8-20(22(23)24-30-32-33-31-24)18-6-4-16(5-7-18)17-10-13-34(14-11-17)15-19-3-2-12-29-19;1-34(2,3)16-15-33-13-11-18(12-14-33)17-5-7-19(8-6-17)20-9-10-21(25(26,27)28)23(37(4,35)36)22(20)24-29-31-32-30-24;1-35(33,34)23-21(25(26,27)28)12-11-20(22(23)24-29-31-32-30-24)18-9-5-15(6-10-18)13-16-7-8-17-3-2-4-19(17)14-16/h5-10,18,20,30H,2-4,11-16H2,1H3,(H,31,32,33,34);2-7,17,19,29H,8-15H2,1H3,(H,30,31,32,33);4-9,17,19,29H,2-3,10-15H2,1H3,(H,30,31,32,33);5-10,18H,11-16H2,1-4H3,(H,29,30,31,32);11-12,15-19H,2-10,13-14H2,1H3,(H,29,30,31,32)/q;;;+1;/t;2*19-;;15?,16?,17-,18?,19+/m.01.1/s1
• InChIKey: OGGJEMSGEXLDEV-POYWWNNGSA-N
• XLogP: 21.30
• TPSA: 501.28 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 30
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2682.11
LogP ≤ 5	21.30
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-[[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methyl]cyclohexyl]-2-methylsulfonyl-3-(trifluoromethyl)phenyl]-2H-tetrazole;(2S)-2-[[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]methyl]morpholine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-2-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine;trimethyl-[2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]ethyl]azanium?

The IUPAC name of 5-[6-[4-[[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methyl]cyclohexyl]-2-methylsulfonyl-3-(trifluoromethyl)phenyl]-2H-tetrazole;(2S)-2-[[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]methyl]morpholine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-2-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine;trimethyl-[2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]ethyl]azanium (CID 159985311) is 5-[6-[4-[[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methyl]cyclohexyl]-2-methylsulfonyl-3-(trifluoromethyl)phenyl]-2H-tetrazole;(2S)-2-[[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]methyl]morpholine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-2-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine;trimethyl-[2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]ethyl]azanium.

What is the SMILES notation for 5-[6-[4-[[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methyl]cyclohexyl]-2-methylsulfonyl-3-(trifluoromethyl)phenyl]-2H-tetrazole;(2S)-2-[[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]methyl]morpholine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-2-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine;trimethyl-[2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]ethyl]azanium?

The canonical SMILES for 5-[6-[4-[[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methyl]cyclohexyl]-2-methylsulfonyl-3-(trifluoromethyl)phenyl]-2H-tetrazole;(2S)-2-[[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]methyl]morpholine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-2-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine;trimethyl-[2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]ethyl]azanium is CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(CC4CCCCN4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(C[C@@H]4CNCCO4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(C[C@H]4CCCN4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CC[C@H]4CCC[C@H]4C3)CC2)c1-c1nn[nH]n1.C[N+](C)(C)CCN1CCC(c2ccc(-c3ccc(C(F)(F)F)c(S(C)(=O)=O)c3-c3nn[nH]n3)cc2)CC1.

What is the InChIKey of 5-[6-[4-[[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methyl]cyclohexyl]-2-methylsulfonyl-3-(trifluoromethyl)phenyl]-2H-tetrazole;(2S)-2-[[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]methyl]morpholine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-2-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine;trimethyl-[2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]ethyl]azanium?

The InChIKey is OGGJEMSGEXLDEV-POYWWNNGSA-N. The full InChI is InChI=1S/C26H31F3N6O2S.C25H29F3N6O3S.C25H29F3N6O2S.C25H32F3N6O2S.C25H33F3N4O2S/c1-38(36,37)24-22(26(27,28)29)10-9-21(23(24)25-31-33-34-32-25)19-7-5-17(6-8-19)18-11-14-35(15-12-18)16-20-4-2-3-13-30-20;1-38(35,36)23-21(25(26,27)28)7-6-20(22(23)24-30-32-33-31-24)18-4-2-16(3-5-18)17-8-11-34(12-9-17)15-19-14-29-10-13-37-19;1-37(35,36)23-21(25(26,27)28)9-8-20(22(23)24-30-32-33-31-24)18-6-4-16(5-7-18)17-10-13-34(14-11-17)15-19-3-2-12-29-19;1-34(2,3)16-15-33-13-11-18(12-14-33)17-5-7-19(8-6-17)20-9-10-21(25(26,27)28)23(37(4,35)36)22(20)24-29-31-32-30-24;1-35(33,34)23-21(25(26,27)28)12-11-20(22(23)24-29-31-32-30-24)18-9-5-15(6-10-18)13-16-7-8-17-3-2-4-19(17)14-16/h5-10,18,20,30H,2-4,11-16H2,1H3,(H,31,32,33,34);2-7,17,19,29H,8-15H2,1H3,(H,30,31,32,33);4-9,17,19,29H,2-3,10-15H2,1H3,(H,30,31,32,33);5-10,18H,11-16H2,1-4H3,(H,29,30,31,32);11-12,15-19H,2-10,13-14H2,1H3,(H,29,30,31,32)/q;;;+1;/t;2*19-;;15?,16?,17-,18?,19+/m.01.1/s1.

What are the key properties of 5-[6-[4-[[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methyl]cyclohexyl]-2-methylsulfonyl-3-(trifluoromethyl)phenyl]-2H-tetrazole;(2S)-2-[[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]methyl]morpholine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-2-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine;trimethyl-[2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]ethyl]azanium?

5-[6-[4-[[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methyl]cyclohexyl]-2-methylsulfonyl-3-(trifluoromethyl)phenyl]-2H-tetrazole;(2S)-2-[[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]methyl]morpholine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-2-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine;trimethyl-[2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]ethyl]azanium has a molecular weight of 2682.11 g/mol, XLogP of 21.30, 30 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-[4-[[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methyl]cyclohexyl]-2-methylsulfonyl-3-(trifluoromethyl)phenyl]-2H-tetrazole;(2S)-2-[[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]methyl]morpholine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-2-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine;trimethyl-[2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]ethyl]azanium is sourced from PubChem (CID 159985311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).