2,2-dimethyl-N-[[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]propanamide;8-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decan-4-amine;2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;3-[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]cyclobutan-1-amine;(3R,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol;(3S,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol

C97H120F18N34O18S6 — CID 161201016

IUPAC2,2-dimethyl-N-[[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]propanamide;8-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decan-4-amine;2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;3-[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]cyclobutan-1-amine;(3R,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol;(3S,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol
SMILESCC(C)(C)C(=O)NCC1CCN(c2ccc(C(F)(F)F)c(S(C)(=O)=O)c2-c2nn[nH]n2)CC1.CS(=O)(=O)c1c(C(F)(F)F)ccc(N2CCC(C3CC(N)C3)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(N2CCC3(CCCC3N)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(N2CCN(CCO)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(N2C[C@@H](O)[C@@H](O)C2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(N2C[C@@H](O)[C@H](O)C2)c1-c1nn[nH]n1
InChIInChI=1S/C20H27F3N6O3S.2C18H23F3N6O2S.C15H19F3N6O3S.2C13H14F3N5O4S/c1-19(2,3)18(30)24-11-12-7-9-29(10-8-12)14-6-5-13(20(21,22)23)16(33(4,31)32)15(14)17-25-27-28-26-17;1-30(28,29)16-13(18(19,20)21)2-3-14(15(16)17-23-25-26-24-17)27-6-4-10(5-7-27)11-8-12(22)9-11;1-30(28,29)15-11(18(19,20)21)4-5-12(14(15)16-23-25-26-24-16)27-9-7-17(8-10-27)6-2-3-13(17)22;1-28(26,27)13-10(15(16,17)18)2-3-11(12(13)14-19-21-22-20-14)24-6-4-23(5-7-24)8-9-25;2*1-26(24,25)11-6(13(14,15)16)2-3-7(10(11)12-17-19-20-18-12)21-4-8(22)9(23)5-21/h5-6,12H,7-11H2,1-4H3,(H,24,30)(H,25,26,27,28);2-3,10-12H,4-9,22H2,1H3,(H,23,24,25,26);4-5,13H,2-3,6-10,22H2,1H3,(H,23,24,25,26);2-3,25H,4-9H2,1H3,(H,19,20,21,22);2*2-3,8-9,22-23H,4-5H2,1H3,(H,17,18,19,20)/t;;;;8-,9+;8-,9-/m.....1/s1
InChIKeyUUZABNWHCNSGBI-SVXANPAJSA-N
MW2584.61 g/mol
LogP7.36
Rot. Bonds23

About 2,2-dimethyl-N-[[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]propanamide;8-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decan-4-amine;2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;3-[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]cyclobutan-1-amine;(3R,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol;(3S,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol

2,2-dimethyl-N-[[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]propanamide;8-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decan-4-amine;2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;3-[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]cyclobutan-1-amine;(3R,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol;(3S,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol (PubChem CID 161201016) has the molecular formula C97H120F18N34O18S6 and a molecular weight of 2584.61 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]propanamide;8-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decan-4-amine;2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;3-[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]cyclobutan-1-amine;(3R,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol;(3S,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name2,2-dimethyl-N-[[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]propanamide;8-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decan-4-amine;2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;3-[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]cyclobutan-1-amine;(3R,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol;(3S,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol
PubChem CID161201016
Molecular FormulaC97H120F18N34O18S6
Molecular Weight2584.61 g/mol
Exact Mass2582.76
IUPAC Name2,2-dimethyl-N-[[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]propanamide;8-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decan-4-amine;2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;3-[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]cyclobutan-1-amine;(3R,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol;(3S,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol
SMILESCC(C)(C)C(=O)NCC1CCN(c2ccc(C(F)(F)F)c(S(C)(=O)=O)c2-c2nn[nH]n2)CC1.CS(=O)(=O)c1c(C(F)(F)F)ccc(N2CCC(C3CC(N)C3)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(N2CCC3(CCCC3N)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(N2CCN(CCO)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(N2C[C@@H](O)[C@@H](O)C2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(N2C[C@@H](O)[C@H](O)C2)c1-c1nn[nH]n1
InChIInChI=1S/C20H27F3N6O3S.2C18H23F3N6O2S.C15H19F3N6O3S.2C13H14F3N5O4S/c1-19(2,3)18(30)24-11-12-7-9-29(10-8-12)14-6-5-13(20(21,22)23)16(33(4,31)32)15(14)17-25-27-28-26-17;1-30(28,29)16-13(18(19,20)21)2-3-14(15(16)17-23-25-26-24-17)27-6-4-10(5-7-27)11-8-12(22)9-11;1-30(28,29)15-11(18(19,20)21)4-5-12(14(15)16-23-25-26-24-16)27-9-7-17(8-10-27)6-2-3-13(17)22;1-28(26,27)13-10(15(16,17)18)2-3-11(12(13)14-19-21-22-20-14)24-6-4-23(5-7-24)8-9-25;2*1-26(24,25)11-6(13(14,15)16)2-3-7(10(11)12-17-19-20-18-12)21-4-8(22)9(23)5-21/h5-6,12H,7-11H2,1-4H3,(H,24,30)(H,25,26,27,28);2-3,10-12H,4-9,22H2,1H3,(H,23,24,25,26);4-5,13H,2-3,6-10,22H2,1H3,(H,23,24,25,26);2-3,25H,4-9H2,1H3,(H,19,20,21,22);2*2-3,8-9,22-23H,4-5H2,1H3,(H,17,18,19,20)/t;;;;8-,9+;8-,9-/m.....1/s1
InChIKeyUUZABNWHCNSGBI-SVXANPAJSA-N
XLogP7.36
TPSA736.57 Ų
H-Bond Donors14
H-Bond Acceptors45
Rotatable Bonds23
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002584.61
LogP ≤ 57.36
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1045

Analyze 2,2-dimethyl-N-[[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]propanamide;8-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decan-4-amine;2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;3-[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]cyclobutan-1-amine;(3R,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol;(3S,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol with MolForge

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Related Compounds

1-(cyclohexylmethyl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine
CID 158761485
6-(1,1-difluoroethyl)-3-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3S,4R)-3-fluoro-4-(hydroxymethyl)piperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[(3R)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-(1,1-difluoroethyl)-3-[4-(3-hydroxypropyl)piperazin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 159951437
3-(4-amino-8-azaspiro[4.5]decan-8-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(4-aminobutyl)piperazin-1-yl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[3-(aminomethyl)azetidin-1-yl]piperidin-1-yl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;2,2-dimethyl-N-[[1-[3-sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]propanamide;3-[4-(3-hydroxypropyl)piperazin-1-yl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 161325436
(4aR,8aS)-7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-2,3,4,4a,5,6,8,8a-octahydropyrano[2,3-c]pyridine;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-2-azaspiro[5.5]undecane;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane;3-[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-3-yl]propan-1-ol;1-[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]pyrrolidin-3-amine;1-[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazine
CID 162102915

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]propanamide;8-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decan-4-amine;2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;3-[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]cyclobutan-1-amine;(3R,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol;(3S,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol?
The IUPAC name of 2,2-dimethyl-N-[[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]propanamide;8-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decan-4-amine;2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;3-[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]cyclobutan-1-amine;(3R,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol;(3S,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol (CID 161201016) is 2,2-dimethyl-N-[[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]propanamide;8-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decan-4-amine;2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;3-[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]cyclobutan-1-amine;(3R,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol;(3S,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 2,2-dimethyl-N-[[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]propanamide;8-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decan-4-amine;2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;3-[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]cyclobutan-1-amine;(3R,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol;(3S,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol?
The canonical SMILES for 2,2-dimethyl-N-[[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]propanamide;8-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decan-4-amine;2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;3-[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]cyclobutan-1-amine;(3R,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol;(3S,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol is CC(C)(C)C(=O)NCC1CCN(c2ccc(C(F)(F)F)c(S(C)(=O)=O)c2-c2nn[nH]n2)CC1.CS(=O)(=O)c1c(C(F)(F)F)ccc(N2CCC(C3CC(N)C3)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(N2CCC3(CCCC3N)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(N2CCN(CCO)CC2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(N2C[C@@H](O)[C@@H](O)C2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(N2C[C@@H](O)[C@H](O)C2)c1-c1nn[nH]n1.
What is the InChIKey of 2,2-dimethyl-N-[[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]propanamide;8-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decan-4-amine;2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;3-[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]cyclobutan-1-amine;(3R,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol;(3S,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol?
The InChIKey is UUZABNWHCNSGBI-SVXANPAJSA-N. The full InChI is InChI=1S/C20H27F3N6O3S.2C18H23F3N6O2S.C15H19F3N6O3S.2C13H14F3N5O4S/c1-19(2,3)18(30)24-11-12-7-9-29(10-8-12)14-6-5-13(20(21,22)23)16(33(4,31)32)15(14)17-25-27-28-26-17;1-30(28,29)16-13(18(19,20)21)2-3-14(15(16)17-23-25-26-24-17)27-6-4-10(5-7-27)11-8-12(22)9-11;1-30(28,29)15-11(18(19,20)21)4-5-12(14(15)16-23-25-26-24-16)27-9-7-17(8-10-27)6-2-3-13(17)22;1-28(26,27)13-10(15(16,17)18)2-3-11(12(13)14-19-21-22-20-14)24-6-4-23(5-7-24)8-9-25;2*1-26(24,25)11-6(13(14,15)16)2-3-7(10(11)12-17-19-20-18-12)21-4-8(22)9(23)5-21/h5-6,12H,7-11H2,1-4H3,(H,24,30)(H,25,26,27,28);2-3,10-12H,4-9,22H2,1H3,(H,23,24,25,26);4-5,13H,2-3,6-10,22H2,1H3,(H,23,24,25,26);2-3,25H,4-9H2,1H3,(H,19,20,21,22);2*2-3,8-9,22-23H,4-5H2,1H3,(H,17,18,19,20)/t;;;;8-,9+;8-,9-/m.....1/s1.
What are the key properties of 2,2-dimethyl-N-[[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]propanamide;8-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decan-4-amine;2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;3-[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]cyclobutan-1-amine;(3R,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol;(3S,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol?
2,2-dimethyl-N-[[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]propanamide;8-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decan-4-amine;2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;3-[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]cyclobutan-1-amine;(3R,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol;(3S,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol has a molecular weight of 2584.61 g/mol, XLogP of 7.36, 23 rotatable bonds, 14 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]propanamide;8-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decan-4-amine;2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol;3-[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]cyclobutan-1-amine;(3R,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol;(3S,4R)-1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 161201016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).