1-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanone

C16H20F3NO4S — CID 86989411

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanone
SMILESCC1CN(C(=O)CS(=O)(=O)Cc2cccc(C(F)(F)F)c2)CC(C)O1
InChIInChI=1S/C16H20F3NO4S/c1-11-7-20(8-12(2)24-11)15(21)10-25(22,23)9-13-4-3-5-14(6-13)16(17,18)19/h3-6,11-12H,7-10H2,1-2H3
InChIKeyYLZAAKANRSHWLU-UHFFFAOYSA-N
MW379.40 g/mol
LogP2.26
Rot. Bonds4

About 1-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanone

1-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanone (PubChem CID 86989411) has the molecular formula C16H20F3NO4S and a molecular weight of 379.40 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanone
PubChem CID86989411
Molecular FormulaC16H20F3NO4S
Molecular Weight379.40 g/mol
Exact Mass379.11
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanone
SMILESCC1CN(C(=O)CS(=O)(=O)Cc2cccc(C(F)(F)F)c2)CC(C)O1
InChIInChI=1S/C16H20F3NO4S/c1-11-7-20(8-12(2)24-11)15(21)10-25(22,23)9-13-4-3-5-14(6-13)16(17,18)19/h3-6,11-12H,7-10H2,1-2H3
InChIKeyYLZAAKANRSHWLU-UHFFFAOYSA-N
XLogP2.26
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzylsulfonyl-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 1094085
2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide
CID 51274160
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanone
CID 55703453
N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 112767043
1-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 78768057
N-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 30825076
1-(3,5-dimethylpiperidin-1-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanone
CID 60502308
(2S)-N-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide
CID 94087753
1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 110539722
N-(2-ethyl-6-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide
CID 86925930
N-methyl-N-[(2-methylphenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide
CID 86989412
(2R,3R)-2-methyl-1-[[3-(trifluoromethyl)phenyl]methylsulfonyl]piperidine-3-carboxylic acid
CID 122105209

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanone?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanone (CID 86989411) is 1-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanone.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanone?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanone is CC1CN(C(=O)CS(=O)(=O)Cc2cccc(C(F)(F)F)c2)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanone?
The InChIKey is YLZAAKANRSHWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO4S/c1-11-7-20(8-12(2)24-11)15(21)10-25(22,23)9-13-4-3-5-14(6-13)16(17,18)19/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanone?
1-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanone has a molecular weight of 379.40 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanone is sourced from PubChem (CID 86989411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).