(3aS,6aR)-4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;5-[2-methylsulfonyl-6-[4-(pyrrolidin-3-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]azepane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclobutan-1-amine;2-[4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexyl]ethanamine;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine

C130H174F18N30O12S6 — CID 158088117

IUPAC(3aS,6aR)-4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;5-[2-methylsulfonyl-6-[4-(pyrrolidin-3-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]azepane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclobutan-1-amine;2-[4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexyl]ethanamine;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine
SMILESCS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CC(N)C3)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CCC(CCN)CC3)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CCCNC3)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CCCNCC3)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CCNC3)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CC[C@H]4NCC[C@@H]34)CC2)c1-c1nn[nH]n1
InChIInChI=1S/C24H34F3N5O2S.C23H30F3N5O2S.C22H30F3N5O2S.C21H28F3N5O2S.2C20H26F3N5O2S/c1-35(33,34)22-20(24(25,26)27)11-10-19(21(22)23-29-31-32-30-23)18-8-6-17(7-9-18)14-16-4-2-15(3-5-16)12-13-28;1-34(32,33)21-18(23(24,25)26)8-7-17(20(21)22-28-30-31-29-22)14-4-2-13(3-5-14)12-15-6-9-19-16(15)10-11-27-19;1-33(31,32)20-18(22(23,24)25)9-8-17(19(20)21-27-29-30-28-21)16-6-4-15(5-7-16)13-14-3-2-11-26-12-10-14;1-32(30,31)19-17(21(22,23)24)9-8-16(18(19)20-26-28-29-27-20)15-6-4-13(5-7-15)11-14-3-2-10-25-12-14;1-31(29,30)18-16(20(21,22)23)7-6-15(17(18)19-25-27-28-26-19)13-4-2-11(3-5-13)8-12-9-14(24)10-12;1-31(29,30)18-16(20(21,22)23)7-6-15(17(18)19-25-27-28-26-19)14-4-2-12(3-5-14)10-13-8-9-24-11-13/h10-11,15-18H,2-9,12-14,28H2,1H3,(H,29,30,31,32);7-8,13-16,19,27H,2-6,9-12H2,1H3,(H,28,29,30,31);8-9,14-16,26H,2-7,10-13H2,1H3,(H,27,28,29,30);8-9,13-15,25H,2-7,10-12H2,1H3,(H,26,27,28,29);6-7,11-14H,2-5,8-10,24H2,1H3,(H,25,26,27,28);6-7,12-14,24H,2-5,8-11H2,1H3,(H,25,26,27,28)/t;13?,14?,15?,16-,19+;;;;/m.0..../s1
InChIKeyFNTMVSUFKQAZSV-HMYIOZJHSA-N
MW2883.39 g/mol
LogP25.00
Rot. Bonds32

About (3aS,6aR)-4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;5-[2-methylsulfonyl-6-[4-(pyrrolidin-3-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]azepane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclobutan-1-amine;2-[4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexyl]ethanamine;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine

(3aS,6aR)-4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;5-[2-methylsulfonyl-6-[4-(pyrrolidin-3-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]azepane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclobutan-1-amine;2-[4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexyl]ethanamine;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine (PubChem CID 158088117) has the molecular formula C130H174F18N30O12S6 and a molecular weight of 2883.39 g/mol. Its IUPAC name is (3aS,6aR)-4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;5-[2-methylsulfonyl-6-[4-(pyrrolidin-3-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]azepane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclobutan-1-amine;2-[4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexyl]ethanamine;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine.

Molecular Properties

Compound Name(3aS,6aR)-4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;5-[2-methylsulfonyl-6-[4-(pyrrolidin-3-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]azepane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclobutan-1-amine;2-[4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexyl]ethanamine;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine
PubChem CID158088117
Molecular FormulaC130H174F18N30O12S6
Molecular Weight2883.39 g/mol
Exact Mass2881.20
IUPAC Name(3aS,6aR)-4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;5-[2-methylsulfonyl-6-[4-(pyrrolidin-3-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]azepane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclobutan-1-amine;2-[4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexyl]ethanamine;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine
SMILESCS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CC(N)C3)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CCC(CCN)CC3)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CCCNC3)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CCCNCC3)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CCNC3)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CC[C@H]4NCC[C@@H]34)CC2)c1-c1nn[nH]n1
InChIInChI=1S/C24H34F3N5O2S.C23H30F3N5O2S.C22H30F3N5O2S.C21H28F3N5O2S.2C20H26F3N5O2S/c1-35(33,34)22-20(24(25,26)27)11-10-19(21(22)23-29-31-32-30-23)18-8-6-17(7-9-18)14-16-4-2-15(3-5-16)12-13-28;1-34(32,33)21-18(23(24,25)26)8-7-17(20(21)22-28-30-31-29-22)14-4-2-13(3-5-14)12-15-6-9-19-16(15)10-11-27-19;1-33(31,32)20-18(22(23,24)25)9-8-17(19(20)21-27-29-30-28-21)16-6-4-15(5-7-16)13-14-3-2-11-26-12-10-14;1-32(30,31)19-17(21(22,23)24)9-8-16(18(19)20-26-28-29-27-20)15-6-4-13(5-7-15)11-14-3-2-10-25-12-14;1-31(29,30)18-16(20(21,22)23)7-6-15(17(18)19-25-27-28-26-19)13-4-2-11(3-5-13)8-12-9-14(24)10-12;1-31(29,30)18-16(20(21,22)23)7-6-15(17(18)19-25-27-28-26-19)14-4-2-12(3-5-14)10-13-8-9-24-11-13/h10-11,15-18H,2-9,12-14,28H2,1H3,(H,29,30,31,32);7-8,13-16,19,27H,2-6,9-12H2,1H3,(H,28,29,30,31);8-9,14-16,26H,2-7,10-13H2,1H3,(H,27,28,29,30);8-9,13-15,25H,2-7,10-12H2,1H3,(H,26,27,28,29);6-7,11-14H,2-5,8-10,24H2,1H3,(H,25,26,27,28);6-7,12-14,24H,2-5,8-11H2,1H3,(H,25,26,27,28)/t;13?,14?,15?,16-,19+;;;;/m.0..../s1
InChIKeyFNTMVSUFKQAZSV-HMYIOZJHSA-N
XLogP25.00
TPSA631.76 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds32
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002883.39
LogP ≤ 525.00
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Analyze (3aS,6aR)-4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;5-[2-methylsulfonyl-6-[4-(pyrrolidin-3-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]azepane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclobutan-1-amine;2-[4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexyl]ethanamine;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine with MolForge

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Related Compounds

3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclobutan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;4-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexan-1-amine;2-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclopentan-1-amine
CID 157214176
(3aS,6aR)-4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]azepane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclobutan-1-amine;4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexan-1-amine;2-[4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexyl]ethanamine;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopentan-1-amine
CID 157884161
5-[2-methylsulfonyl-6-[4-(pyrrolidin-3-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexan-1-amine;[4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexyl]methanamine;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine;4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine;3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]propan-1-amine
CID 158013520
4-methyl-5-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]pentan-1-amine;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;4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexan-1-amine;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopentan-1-amine
CID 158538335
5-[6-[4-[1-(azetidin-3-ylmethyl)azetidin-3-yl]phenyl]-2-methylsulfonyl-3-(trifluoromethyl)phenyl]-2H-tetrazole;N-methyl-3-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclobutan-1-amine;5-[2-methylsulfonyl-6-[4-(1-pyrrolidin-3-ylazetidin-3-yl)phenyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]-7-azaspiro[3.5]nonane;3-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexan-1-amine
CID 158813933
5-[6-[4-[1-(cyclohexylmethyl)azetidin-3-yl]phenyl]-2-methylsulfonyl-3-(trifluoromethyl)phenyl]-2H-tetrazole;2-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]-7-azaspiro[3.5]nonane;4-[2-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]ethyl]piperidine;1-[[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]methyl]cyclopropan-1-amine;4-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]piperidine
CID 159284788
3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclobutan-1-amine;4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexan-1-amine;[4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexyl]methanamine;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopentan-1-amine;4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine;3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]propan-1-amine
CID 159379278
1-butyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;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-(piperidin-3-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 159651731
1-(azetidin-3-yl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexan-1-amine;2-[4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexyl]ethanamine;2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclopentan-1-amine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(2-piperidin-4-ylethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine
CID 160647883
(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
N-methyl-3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclobutan-1-amine;2-[4-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexyl]ethanamine;[4-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]cyclohexyl]methanamine;2-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]ethanamine;3-[3-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]azetidin-1-yl]propan-1-amine
CID 161439217
2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]-7-azabicyclo[2.2.1]heptane;3-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclobutan-1-amine;[4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexyl]methanamine;3-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclopentan-1-amine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-pyrrolidin-3-ylpiperidine
CID 161838656

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;5-[2-methylsulfonyl-6-[4-(pyrrolidin-3-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]azepane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclobutan-1-amine;2-[4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexyl]ethanamine;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine?
The IUPAC name of (3aS,6aR)-4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;5-[2-methylsulfonyl-6-[4-(pyrrolidin-3-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]azepane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclobutan-1-amine;2-[4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexyl]ethanamine;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine (CID 158088117) is (3aS,6aR)-4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;5-[2-methylsulfonyl-6-[4-(pyrrolidin-3-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]azepane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclobutan-1-amine;2-[4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexyl]ethanamine;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine.
What is the SMILES notation for (3aS,6aR)-4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;5-[2-methylsulfonyl-6-[4-(pyrrolidin-3-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]azepane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclobutan-1-amine;2-[4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexyl]ethanamine;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine?
The canonical SMILES for (3aS,6aR)-4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;5-[2-methylsulfonyl-6-[4-(pyrrolidin-3-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]azepane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclobutan-1-amine;2-[4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexyl]ethanamine;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine is CS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CC(N)C3)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CCC(CCN)CC3)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CCCNC3)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CCCNCC3)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CCNC3)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CC[C@H]4NCC[C@@H]34)CC2)c1-c1nn[nH]n1.
What is the InChIKey of (3aS,6aR)-4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;5-[2-methylsulfonyl-6-[4-(pyrrolidin-3-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]azepane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclobutan-1-amine;2-[4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexyl]ethanamine;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine?
The InChIKey is FNTMVSUFKQAZSV-HMYIOZJHSA-N. The full InChI is InChI=1S/C24H34F3N5O2S.C23H30F3N5O2S.C22H30F3N5O2S.C21H28F3N5O2S.2C20H26F3N5O2S/c1-35(33,34)22-20(24(25,26)27)11-10-19(21(22)23-29-31-32-30-23)18-8-6-17(7-9-18)14-16-4-2-15(3-5-16)12-13-28;1-34(32,33)21-18(23(24,25)26)8-7-17(20(21)22-28-30-31-29-22)14-4-2-13(3-5-14)12-15-6-9-19-16(15)10-11-27-19;1-33(31,32)20-18(22(23,24)25)9-8-17(19(20)21-27-29-30-28-21)16-6-4-15(5-7-16)13-14-3-2-11-26-12-10-14;1-32(30,31)19-17(21(22,23)24)9-8-16(18(19)20-26-28-29-27-20)15-6-4-13(5-7-15)11-14-3-2-10-25-12-14;1-31(29,30)18-16(20(21,22)23)7-6-15(17(18)19-25-27-28-26-19)13-4-2-11(3-5-13)8-12-9-14(24)10-12;1-31(29,30)18-16(20(21,22)23)7-6-15(17(18)19-25-27-28-26-19)14-4-2-12(3-5-14)10-13-8-9-24-11-13/h10-11,15-18H,2-9,12-14,28H2,1H3,(H,29,30,31,32);7-8,13-16,19,27H,2-6,9-12H2,1H3,(H,28,29,30,31);8-9,14-16,26H,2-7,10-13H2,1H3,(H,27,28,29,30);8-9,13-15,25H,2-7,10-12H2,1H3,(H,26,27,28,29);6-7,11-14H,2-5,8-10,24H2,1H3,(H,25,26,27,28);6-7,12-14,24H,2-5,8-11H2,1H3,(H,25,26,27,28)/t;13?,14?,15?,16-,19+;;;;/m.0..../s1.
What are the key properties of (3aS,6aR)-4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;5-[2-methylsulfonyl-6-[4-(pyrrolidin-3-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]azepane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclobutan-1-amine;2-[4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexyl]ethanamine;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine?
(3aS,6aR)-4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;5-[2-methylsulfonyl-6-[4-(pyrrolidin-3-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]azepane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclobutan-1-amine;2-[4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexyl]ethanamine;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine has a molecular weight of 2883.39 g/mol, XLogP of 25.00, 32 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;5-[2-methylsulfonyl-6-[4-(pyrrolidin-3-ylmethyl)cyclohexyl]-3-(trifluoromethyl)phenyl]-2H-tetrazole;4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]azepane;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclobutan-1-amine;2-[4-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclohexyl]ethanamine;3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine is sourced from PubChem (CID 158088117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).