(4aR,8aS)-6-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;4-methyl-5-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]pentan-1-amine;5-[2-methylsulfonyl-6-[4-(spiro[3.5]nonan-2-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;7-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;9-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-3-azaspiro[5.5]undecane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexan-1-amine

C142H194F18N30O12S6 — CID 160783118

IUPAC(4aR,8aS)-6-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;4-methyl-5-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]pentan-1-amine;5-[2-methylsulfonyl-6-[4-(spiro[3.5]nonan-2-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;7-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;9-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-3-azaspiro[5.5]undecane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexan-1-amine
SMILESCC(CCCN)CC1CCC(c2ccc(C(F)(F)F)c(S(C)(=O)=O)c2-c2nn[nH]n2)CC1.CS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CC4(CCCCC4)C3)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CC4CNCCN4C3)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CCC4(CCNCC4)CC3)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CCCC(N)C3)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CC[C@@H]4CNCC[C@H]4C3)CC2)c1-c1nn[nH]n1
InChIInChI=1S/C26H36F3N5O2S.C25H34F3N5O2S.C25H33F3N4O2S.C23H31F3N6O2S.C22H30F3N5O2S.C21H30F3N5O2S/c1-37(35,36)23-21(26(27,28)29)7-6-20(22(23)24-31-33-34-32-24)19-4-2-17(3-5-19)16-18-8-10-25(11-9-18)12-14-30-15-13-25;1-36(34,35)23-21(25(26,27)28)9-8-20(22(23)24-30-32-33-31-24)17-5-2-15(3-6-17)12-16-4-7-19-14-29-11-10-18(19)13-16;1-35(33,34)22-20(25(26,27)28)10-9-19(21(22)23-29-31-32-30-23)18-7-5-16(6-8-18)13-17-14-24(15-17)11-3-2-4-12-24;1-35(33,34)21-19(23(24,25)26)7-6-18(20(21)22-28-30-31-29-22)16-4-2-14(3-5-16)10-15-11-17-12-27-8-9-32(17)13-15;1-33(31,32)20-18(22(23,24)25)10-9-17(19(20)21-27-29-30-28-21)15-7-5-13(6-8-15)11-14-3-2-4-16(26)12-14;1-13(4-3-11-25)12-14-5-7-15(8-6-14)16-9-10-17(21(22,23)24)19(32(2,30)31)18(16)20-26-28-29-27-20/h6-7,17-19,30H,2-5,8-16H2,1H3,(H,31,32,33,34);8-9,15-19,29H,2-7,10-14H2,1H3,(H,30,31,32,33);9-10,16-18H,2-8,11-15H2,1H3,(H,29,30,31,32);6-7,14-17,27H,2-5,8-13H2,1H3,(H,28,29,30,31);9-10,13-16H,2-8,11-12,26H2,1H3,(H,27,28,29,30);9-10,13-15H,3-8,11-12,25H2,1-2H3,(H,26,27,28,29)/t;15?,16?,17?,18-,19+;;;;/m.0..../s1
InChIKeySAVOZCRNPSOVRK-KOJRIDKTSA-N
MW3047.68 g/mol
LogP28.85
Rot. Bonds33

About (4aR,8aS)-6-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;4-methyl-5-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]pentan-1-amine;5-[2-methylsulfonyl-6-[4-(spiro[3.5]nonan-2-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;7-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;9-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-3-azaspiro[5.5]undecane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexan-1-amine

(4aR,8aS)-6-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;4-methyl-5-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]pentan-1-amine;5-[2-methylsulfonyl-6-[4-(spiro[3.5]nonan-2-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;7-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;9-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-3-azaspiro[5.5]undecane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexan-1-amine (PubChem CID 160783118) has the molecular formula C142H194F18N30O12S6 and a molecular weight of 3047.68 g/mol. Its IUPAC name is (4aR,8aS)-6-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;4-methyl-5-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]pentan-1-amine;5-[2-methylsulfonyl-6-[4-(spiro[3.5]nonan-2-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;7-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;9-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-3-azaspiro[5.5]undecane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name(4aR,8aS)-6-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;4-methyl-5-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]pentan-1-amine;5-[2-methylsulfonyl-6-[4-(spiro[3.5]nonan-2-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;7-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;9-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-3-azaspiro[5.5]undecane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexan-1-amine
PubChem CID160783118
Molecular FormulaC142H194F18N30O12S6
Molecular Weight3047.68 g/mol
Exact Mass3045.35
IUPAC Name(4aR,8aS)-6-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;4-methyl-5-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]pentan-1-amine;5-[2-methylsulfonyl-6-[4-(spiro[3.5]nonan-2-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;7-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;9-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-3-azaspiro[5.5]undecane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexan-1-amine
SMILESCC(CCCN)CC1CCC(c2ccc(C(F)(F)F)c(S(C)(=O)=O)c2-c2nn[nH]n2)CC1.CS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CC4(CCCCC4)C3)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CC4CNCCN4C3)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CCC4(CCNCC4)CC3)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CCCC(N)C3)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CC[C@@H]4CNCC[C@H]4C3)CC2)c1-c1nn[nH]n1
InChIInChI=1S/C26H36F3N5O2S.C25H34F3N5O2S.C25H33F3N4O2S.C23H31F3N6O2S.C22H30F3N5O2S.C21H30F3N5O2S/c1-37(35,36)23-21(26(27,28)29)7-6-20(22(23)24-31-33-34-32-24)19-4-2-17(3-5-19)16-18-8-10-25(11-9-18)12-14-30-15-13-25;1-36(34,35)23-21(25(26,27)28)9-8-20(22(23)24-30-32-33-31-24)17-5-2-15(3-6-17)12-16-4-7-19-14-29-11-10-18(19)13-16;1-35(33,34)22-20(25(26,27)28)10-9-19(21(22)23-29-31-32-30-23)18-7-5-16(6-8-18)13-17-14-24(15-17)11-3-2-4-12-24;1-35(33,34)21-19(23(24,25)26)7-6-18(20(21)22-28-30-31-29-22)16-4-2-14(3-5-16)10-15-11-17-12-27-8-9-32(17)13-15;1-33(31,32)20-18(22(23,24)25)10-9-17(19(20)21-27-29-30-28-21)15-7-5-13(6-8-15)11-14-3-2-4-16(26)12-14;1-13(4-3-11-25)12-14-5-7-15(8-6-14)16-9-10-17(21(22,23)24)19(32(2,30)31)18(16)20-26-28-29-27-20/h6-7,17-19,30H,2-5,8-16H2,1H3,(H,31,32,33,34);8-9,15-19,29H,2-7,10-14H2,1H3,(H,30,31,32,33);9-10,16-18H,2-8,11-15H2,1H3,(H,29,30,31,32);6-7,14-17,27H,2-5,8-13H2,1H3,(H,28,29,30,31);9-10,13-16H,2-8,11-12,26H2,1H3,(H,27,28,29,30);9-10,13-15H,3-8,11-12,25H2,1-2H3,(H,26,27,28,29)/t;15?,16?,17?,18-,19+;;;;/m.0..../s1
InChIKeySAVOZCRNPSOVRK-KOJRIDKTSA-N
XLogP28.85
TPSA622.97 Ų
H-Bond Donors11
H-Bond Acceptors36
Rotatable Bonds33
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003047.68
LogP ≤ 528.85
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1036

Analyze (4aR,8aS)-6-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;4-methyl-5-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]pentan-1-amine;5-[2-methylsulfonyl-6-[4-(spiro[3.5]nonan-2-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;7-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;9-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-3-azaspiro[5.5]undecane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aR,8aS)-6-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;4-methyl-5-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]pentan-1-amine;5-[2-methylsulfonyl-6-[4-(spiro[3.5]nonan-2-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;7-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;9-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-3-azaspiro[5.5]undecane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexan-1-amine?
The IUPAC name of (4aR,8aS)-6-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;4-methyl-5-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]pentan-1-amine;5-[2-methylsulfonyl-6-[4-(spiro[3.5]nonan-2-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;7-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;9-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-3-azaspiro[5.5]undecane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexan-1-amine (CID 160783118) is (4aR,8aS)-6-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;4-methyl-5-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]pentan-1-amine;5-[2-methylsulfonyl-6-[4-(spiro[3.5]nonan-2-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;7-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;9-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-3-azaspiro[5.5]undecane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for (4aR,8aS)-6-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;4-methyl-5-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]pentan-1-amine;5-[2-methylsulfonyl-6-[4-(spiro[3.5]nonan-2-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;7-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;9-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-3-azaspiro[5.5]undecane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexan-1-amine?
The canonical SMILES for (4aR,8aS)-6-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;4-methyl-5-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]pentan-1-amine;5-[2-methylsulfonyl-6-[4-(spiro[3.5]nonan-2-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;7-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;9-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-3-azaspiro[5.5]undecane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexan-1-amine is CC(CCCN)CC1CCC(c2ccc(C(F)(F)F)c(S(C)(=O)=O)c2-c2nn[nH]n2)CC1.CS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CC4(CCCCC4)C3)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CC4CNCCN4C3)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CCC4(CCNCC4)CC3)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CCCC(N)C3)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CC[C@@H]4CNCC[C@H]4C3)CC2)c1-c1nn[nH]n1.
What is the InChIKey of (4aR,8aS)-6-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;4-methyl-5-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]pentan-1-amine;5-[2-methylsulfonyl-6-[4-(spiro[3.5]nonan-2-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;7-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;9-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-3-azaspiro[5.5]undecane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexan-1-amine?
The InChIKey is SAVOZCRNPSOVRK-KOJRIDKTSA-N. The full InChI is InChI=1S/C26H36F3N5O2S.C25H34F3N5O2S.C25H33F3N4O2S.C23H31F3N6O2S.C22H30F3N5O2S.C21H30F3N5O2S/c1-37(35,36)23-21(26(27,28)29)7-6-20(22(23)24-31-33-34-32-24)19-4-2-17(3-5-19)16-18-8-10-25(11-9-18)12-14-30-15-13-25;1-36(34,35)23-21(25(26,27)28)9-8-20(22(23)24-30-32-33-31-24)17-5-2-15(3-6-17)12-16-4-7-19-14-29-11-10-18(19)13-16;1-35(33,34)22-20(25(26,27)28)10-9-19(21(22)23-29-31-32-30-23)18-7-5-16(6-8-18)13-17-14-24(15-17)11-3-2-4-12-24;1-35(33,34)21-19(23(24,25)26)7-6-18(20(21)22-28-30-31-29-22)16-4-2-14(3-5-16)10-15-11-17-12-27-8-9-32(17)13-15;1-33(31,32)20-18(22(23,24)25)10-9-17(19(20)21-27-29-30-28-21)15-7-5-13(6-8-15)11-14-3-2-4-16(26)12-14;1-13(4-3-11-25)12-14-5-7-15(8-6-14)16-9-10-17(21(22,23)24)19(32(2,30)31)18(16)20-26-28-29-27-20/h6-7,17-19,30H,2-5,8-16H2,1H3,(H,31,32,33,34);8-9,15-19,29H,2-7,10-14H2,1H3,(H,30,31,32,33);9-10,16-18H,2-8,11-15H2,1H3,(H,29,30,31,32);6-7,14-17,27H,2-5,8-13H2,1H3,(H,28,29,30,31);9-10,13-16H,2-8,11-12,26H2,1H3,(H,27,28,29,30);9-10,13-15H,3-8,11-12,25H2,1-2H3,(H,26,27,28,29)/t;15?,16?,17?,18-,19+;;;;/m.0..../s1.
What are the key properties of (4aR,8aS)-6-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;4-methyl-5-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]pentan-1-amine;5-[2-methylsulfonyl-6-[4-(spiro[3.5]nonan-2-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;7-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;9-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-3-azaspiro[5.5]undecane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexan-1-amine?
(4aR,8aS)-6-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;4-methyl-5-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]pentan-1-amine;5-[2-methylsulfonyl-6-[4-(spiro[3.5]nonan-2-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;7-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;9-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-3-azaspiro[5.5]undecane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexan-1-amine has a molecular weight of 3047.68 g/mol, XLogP of 28.85, 33 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aS)-6-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;4-methyl-5-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]pentan-1-amine;5-[2-methylsulfonyl-6-[4-(spiro[3.5]nonan-2-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;7-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;9-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-3-azaspiro[5.5]undecane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 160783118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).