2,6-dimethyl-4-[[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methyl]morpholine

C18H25F3N2O3S — CID 47813914

IUPAC2,6-dimethyl-4-[[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methyl]morpholine
SMILESCC1CN(CC2CCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC(C)O1
InChIInChI=1S/C18H25F3N2O3S/c1-13-10-22(11-14(2)26-13)12-16-4-3-9-23(16)27(24,25)17-7-5-15(6-8-17)18(19,20)21/h5-8,13-14,16H,3-4,9-12H2,1-2H3
InChIKeyVIPYBFQKHFHPBF-UHFFFAOYSA-N
MW406.47 g/mol
LogP2.97
Rot. Bonds4

About 2,6-dimethyl-4-[[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methyl]morpholine

2,6-dimethyl-4-[[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methyl]morpholine (PubChem CID 47813914) has the molecular formula C18H25F3N2O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is 2,6-dimethyl-4-[[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methyl]morpholine
PubChem CID47813914
Molecular FormulaC18H25F3N2O3S
Molecular Weight406.47 g/mol
Exact Mass406.15
IUPAC Name2,6-dimethyl-4-[[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methyl]morpholine
SMILESCC1CN(CC2CCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC(C)O1
InChIInChI=1S/C18H25F3N2O3S/c1-13-10-22(11-14(2)26-13)12-16-4-3-9-23(16)27(24,25)17-7-5-15(6-8-17)18(19,20)21/h5-8,13-14,16H,3-4,9-12H2,1-2H3
InChIKeyVIPYBFQKHFHPBF-UHFFFAOYSA-N
XLogP2.97
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,6-dimethyl-4-[[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-{4''-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-biphenyl-4-sulfonyl}-morpholine
CID 24886365
2,6-Dimethyl-4-{[3-(trifluoromethyl)phenyl]sulfonyl}morpholine
CID 2818577
3,5-dimethyl-4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylmorpholine
CID 44254219
4-ethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzenesulfonamide
CID 9397008
(5-Methyl-3-{[3-(trifluoromethyl)phenyl]sulfonyl}imidazolidin-1-yl)(morpholin-4-yl)methanone
CID 6498823
{2,5-Dimethyl-3-[(4-methylphenyl)sulfonyl]imidazolidin-1-yl}(morpholin-4-yl)methanone
CID 6498825
N,N-dimethyl-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118740866
8-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118744794
2,6-Dimethyl-4-[(4-methylphenyl)sulfonyl]morpholine
CID 2832225
Carbonic anhydrase inhibitors (CAIs), 4
CID 129012497
Cambridge id 6853731
CID 1321624
{5-Methyl-3-[(4-methylphenyl)sulfonyl]imidazolidin-1-yl}(morpholin-4-yl)methanone
CID 6498819

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methyl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methyl]morpholine (CID 47813914) is 2,6-dimethyl-4-[[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methyl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methyl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methyl]morpholine is CC1CN(CC2CCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-[[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methyl]morpholine?
The InChIKey is VIPYBFQKHFHPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O3S/c1-13-10-22(11-14(2)26-13)12-16-4-3-9-23(16)27(24,25)17-7-5-15(6-8-17)18(19,20)21/h5-8,13-14,16H,3-4,9-12H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-[[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methyl]morpholine?
2,6-dimethyl-4-[[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methyl]morpholine has a molecular weight of 406.47 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methyl]morpholine is sourced from PubChem (CID 47813914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).