(2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidine-4-sulfonamide

C16H20F3N5O2S — CID 168826756

IUPAC(2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidine-4-sulfonamide
SMILESC[C@H]1C[C@](c2ccc(C(F)(F)F)cc2)(S(N)(=O)=O)C[C@@H](c2cn(C)nn2)N1
InChIInChI=1S/C16H20F3N5O2S/c1-10-7-15(27(20,25)26,8-13(21-10)14-9-24(2)23-22-14)11-3-5-12(6-4-11)16(17,18)19/h3-6,9-10,13,21H,7-8H2,1-2H3,(H2,20,25,26)/t10-,13-,15-/m0/s1
InChIKeyQGNQIDSMDAELOB-XEGUGMAKSA-N
MW403.43 g/mol
LogP1.83
Rot. Bonds3

About (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidine-4-sulfonamide

(2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidine-4-sulfonamide (PubChem CID 168826756) has the molecular formula C16H20F3N5O2S and a molecular weight of 403.43 g/mol. Its IUPAC name is (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidine-4-sulfonamide.

Molecular Properties

Compound Name(2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidine-4-sulfonamide
PubChem CID168826756
Molecular FormulaC16H20F3N5O2S
Molecular Weight403.43 g/mol
Exact Mass403.13
IUPAC Name(2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidine-4-sulfonamide
SMILESC[C@H]1C[C@](c2ccc(C(F)(F)F)cc2)(S(N)(=O)=O)C[C@@H](c2cn(C)nn2)N1
InChIInChI=1S/C16H20F3N5O2S/c1-10-7-15(27(20,25)26,8-13(21-10)14-9-24(2)23-22-14)11-3-5-12(6-4-11)16(17,18)19/h3-6,9-10,13,21H,7-8H2,1-2H3,(H2,20,25,26)/t10-,13-,15-/m0/s1
InChIKeyQGNQIDSMDAELOB-XEGUGMAKSA-N
XLogP1.83
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,6S)-2-[1-(2-hydroxyethyl)triazol-4-yl]-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 168826966
(2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 168826963
(2S,4S,6S)-4-(3,4-dimethylphenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol
CID 170108176
(2R)-3-[4-[(2S,6S)-4-hydroxy-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-2-yl]triazol-1-yl]propane-1,2-diol
CID 168826612
(2S,4S,6S)-4-(2-hydroxy-4-methylphenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol
CID 170108183
(2S,4S,6S)-4-(4-chloro-3-methylphenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol
CID 168826909
2'-methyl-6'-(1-methyltriazol-4-yl)-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 171572117
(2S)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one
CID 164725953
(2S,4R,6S)-2,4-dimethyl-6-(1-methyltriazol-4-yl)-1-prop-2-enyl-4-[4-(trifluoromethyl)phenyl]piperidine
CID 168912705
(2'S,3S,6'S)-2',6-dimethyl-6'-(1-methyltriazol-4-yl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 168912651
(2S,6S)-2-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)triazol-4-yl]-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 168826735
(2S,6S)-2-methyl-6-(1,2-oxazol-3-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 168826686

Frequently Asked Questions

What is the IUPAC name of (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidine-4-sulfonamide?
The IUPAC name of (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidine-4-sulfonamide (CID 168826756) is (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidine-4-sulfonamide.
What is the SMILES notation for (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidine-4-sulfonamide?
The canonical SMILES for (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidine-4-sulfonamide is C[C@H]1C[C@](c2ccc(C(F)(F)F)cc2)(S(N)(=O)=O)C[C@@H](c2cn(C)nn2)N1.
What is the InChIKey of (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidine-4-sulfonamide?
The InChIKey is QGNQIDSMDAELOB-XEGUGMAKSA-N. The full InChI is InChI=1S/C16H20F3N5O2S/c1-10-7-15(27(20,25)26,8-13(21-10)14-9-24(2)23-22-14)11-3-5-12(6-4-11)16(17,18)19/h3-6,9-10,13,21H,7-8H2,1-2H3,(H2,20,25,26)/t10-,13-,15-/m0/s1.
What are the key properties of (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidine-4-sulfonamide?
(2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidine-4-sulfonamide has a molecular weight of 403.43 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidine-4-sulfonamide is sourced from PubChem (CID 168826756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).