2,6-dimethyl-4-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]sulfonylmorpholine

C17H24F3N3O6S2 — CID 55601255

IUPAC2,6-dimethyl-4-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]sulfonylmorpholine
SMILESCC1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3OC(F)(F)F)CC2)CC(C)O1
InChIInChI=1S/C17H24F3N3O6S2/c1-13-11-23(12-14(2)28-13)31(26,27)22-9-7-21(8-10-22)30(24,25)16-6-4-3-5-15(16)29-17(18,19)20/h3-6,13-14H,7-12H2,1-2H3
InChIKeyAJKKJYHRHYYESJ-UHFFFAOYSA-N
MW487.52 g/mol
LogP1.25
Rot. Bonds5

About 2,6-dimethyl-4-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]sulfonylmorpholine

2,6-dimethyl-4-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]sulfonylmorpholine (PubChem CID 55601255) has the molecular formula C17H24F3N3O6S2 and a molecular weight of 487.52 g/mol. Its IUPAC name is 2,6-dimethyl-4-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]sulfonylmorpholine
PubChem CID55601255
Molecular FormulaC17H24F3N3O6S2
Molecular Weight487.52 g/mol
Exact Mass487.11
IUPAC Name2,6-dimethyl-4-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]sulfonylmorpholine
SMILESCC1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3OC(F)(F)F)CC2)CC(C)O1
InChIInChI=1S/C17H24F3N3O6S2/c1-13-11-23(12-14(2)28-13)31(26,27)22-9-7-21(8-10-22)30(24,25)16-6-4-3-5-15(16)29-17(18,19)20/h3-6,13-14H,7-12H2,1-2H3
InChIKeyAJKKJYHRHYYESJ-UHFFFAOYSA-N
XLogP1.25
TPSA96.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.52
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,4-dimethylphenyl)sulfonyl-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 55512284
(2S,5R)-2,5-dimethyl-4-[2-(trifluoromethoxy)phenyl]sulfonylmorpholine
CID 51936673
(3R)-1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962804
5-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 43063031
(3R)-N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine
CID 124627734
N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 31109375
(3S)-1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidine-3-carboxylic acid
CID 125118541
4-[4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine
CID 55627528
1-[(4-tert-butylphenyl)methyl]-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 3548702
N-methyl-N-phenyl-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 3820684
N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 112846390
2,6-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonylmorpholine
CID 51330482

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]sulfonylmorpholine?
The IUPAC name of 2,6-dimethyl-4-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]sulfonylmorpholine (CID 55601255) is 2,6-dimethyl-4-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 2,6-dimethyl-4-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]sulfonylmorpholine?
The canonical SMILES for 2,6-dimethyl-4-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]sulfonylmorpholine is CC1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3OC(F)(F)F)CC2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]sulfonylmorpholine?
The InChIKey is AJKKJYHRHYYESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O6S2/c1-13-11-23(12-14(2)28-13)31(26,27)22-9-7-21(8-10-22)30(24,25)16-6-4-3-5-15(16)29-17(18,19)20/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]sulfonylmorpholine?
2,6-dimethyl-4-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]sulfonylmorpholine has a molecular weight of 487.52 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 55601255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).