N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-(trifluoromethylsulfonyl)aniline

C15H21F3N2O5S2 — CID 55680667

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-(trifluoromethylsulfonyl)aniline
SMILESCC1CN(S(=O)(=O)CCNc2ccccc2S(=O)(=O)C(F)(F)F)CC(C)O1
InChIInChI=1S/C15H21F3N2O5S2/c1-11-9-20(10-12(2)25-11)26(21,22)8-7-19-13-5-3-4-6-14(13)27(23,24)15(16,17)18/h3-6,11-12,19H,7-10H2,1-2H3
InChIKeyQJIWVAZFZAUEDY-UHFFFAOYSA-N
MW430.47 g/mol
LogP1.83
Rot. Bonds6

About N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-(trifluoromethylsulfonyl)aniline

N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-(trifluoromethylsulfonyl)aniline (PubChem CID 55680667) has the molecular formula C15H21F3N2O5S2 and a molecular weight of 430.47 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-(trifluoromethylsulfonyl)aniline.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-(trifluoromethylsulfonyl)aniline
PubChem CID55680667
Molecular FormulaC15H21F3N2O5S2
Molecular Weight430.47 g/mol
Exact Mass430.08
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-(trifluoromethylsulfonyl)aniline
SMILESCC1CN(S(=O)(=O)CCNc2ccccc2S(=O)(=O)C(F)(F)F)CC(C)O1
InChIInChI=1S/C15H21F3N2O5S2/c1-11-9-20(10-12(2)25-11)26(21,22)8-7-19-13-5-3-4-6-14(13)27(23,24)15(16,17)18/h3-6,11-12,19H,7-10H2,1-2H3
InChIKeyQJIWVAZFZAUEDY-UHFFFAOYSA-N
XLogP1.83
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethylamino]-3-nitrophenyl]-phenylmethanone
CID 51943066
2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide
CID 51941813
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2,2-dimethylpropan-1-amine
CID 95177772
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(2-phenoxyphenyl)urea
CID 47032415
3-[(2-chlorophenyl)sulfonylamino]-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]propanamide
CID 55658112
2-methyl-N'-[2-(trifluoromethylsulfonyl)phenyl]pentane-1,5-diamine
CID 106155437
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-phenylquinazolin-4-amine
CID 51943069
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(2-fluorophenyl)propanamide
CID 46433864
2-[2-(trifluoromethylsulfonyl)anilino]ethyl carbamate
CID 83205222
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-methyl-3-(2-phenylpropyl)guanidine
CID 111343423
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 42959764
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-methylsulfonyl-3-nitroaniline
CID 47085793

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-(trifluoromethylsulfonyl)aniline?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-(trifluoromethylsulfonyl)aniline (CID 55680667) is N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-(trifluoromethylsulfonyl)aniline.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-(trifluoromethylsulfonyl)aniline?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-(trifluoromethylsulfonyl)aniline is CC1CN(S(=O)(=O)CCNc2ccccc2S(=O)(=O)C(F)(F)F)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-(trifluoromethylsulfonyl)aniline?
The InChIKey is QJIWVAZFZAUEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O5S2/c1-11-9-20(10-12(2)25-11)26(21,22)8-7-19-13-5-3-4-6-14(13)27(23,24)15(16,17)18/h3-6,11-12,19H,7-10H2,1-2H3.
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-(trifluoromethylsulfonyl)aniline?
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-(trifluoromethylsulfonyl)aniline has a molecular weight of 430.47 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-(trifluoromethylsulfonyl)aniline is sourced from PubChem (CID 55680667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).