4-(difluoromethylsulfonyl)-N-[1-(4-methylmorpholin-2-yl)ethyl]aniline

C14H20F2N2O3S — CID 133386364

IUPAC4-(difluoromethylsulfonyl)-N-[1-(4-methylmorpholin-2-yl)ethyl]aniline
SMILESCC(Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CN(C)CCO1
InChIInChI=1S/C14H20F2N2O3S/c1-10(13-9-18(2)7-8-21-13)17-11-3-5-12(6-4-11)22(19,20)14(15)16/h3-6,10,13-14,17H,7-9H2,1-2H3
InChIKeyVNYCFMDGOQDVSM-UHFFFAOYSA-N
MW334.39 g/mol
LogP1.81
Rot. Bonds5

About 4-(difluoromethylsulfonyl)-N-[1-(4-methylmorpholin-2-yl)ethyl]aniline

4-(difluoromethylsulfonyl)-N-[1-(4-methylmorpholin-2-yl)ethyl]aniline (PubChem CID 133386364) has the molecular formula C14H20F2N2O3S and a molecular weight of 334.39 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-[1-(4-methylmorpholin-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-[1-(4-methylmorpholin-2-yl)ethyl]aniline
PubChem CID133386364
Molecular FormulaC14H20F2N2O3S
Molecular Weight334.39 g/mol
Exact Mass334.12
IUPAC Name4-(difluoromethylsulfonyl)-N-[1-(4-methylmorpholin-2-yl)ethyl]aniline
SMILESCC(Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CN(C)CCO1
InChIInChI=1S/C14H20F2N2O3S/c1-10(13-9-18(2)7-8-21-13)17-11-3-5-12(6-4-11)22(19,20)14(15)16/h3-6,10,13-14,17H,7-9H2,1-2H3
InChIKeyVNYCFMDGOQDVSM-UHFFFAOYSA-N
XLogP1.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methylmorpholin-2-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133386475
4-(difluoromethylsulfonyl)-N-propan-2-ylaniline
CID 43455286
methyl 5-[1-(4-methylmorpholin-2-yl)ethylamino]-2-nitrobenzoate
CID 133386455
N-[1-(4-methylmorpholin-2-yl)ethyl]-2-nitroaniline
CID 133386498
N-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133386525
(2R)-2-[4-(difluoromethylsulfonyl)anilino]-N-methylpropanamide
CID 133429366
4-(difluoromethylsulfonyl)-N-heptan-4-ylaniline
CID 43683888
5-fluoro-2-[1-(4-methylmorpholin-2-yl)ethylamino]benzonitrile
CID 133386483
N-[4-(difluoromethylsulfonyl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43455310
N-but-3-yn-2-yl-4-(difluoromethylsulfonyl)aniline
CID 114382952
3-[4-[(1R)-1-[4-(difluoromethylsulfonyl)anilino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 95586363
(4-fluorophenyl)-(4-methylmorpholin-2-yl)methanamine
CID 79093624

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-[1-(4-methylmorpholin-2-yl)ethyl]aniline?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-[1-(4-methylmorpholin-2-yl)ethyl]aniline (CID 133386364) is 4-(difluoromethylsulfonyl)-N-[1-(4-methylmorpholin-2-yl)ethyl]aniline.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-[1-(4-methylmorpholin-2-yl)ethyl]aniline?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-[1-(4-methylmorpholin-2-yl)ethyl]aniline is CC(Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CN(C)CCO1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-[1-(4-methylmorpholin-2-yl)ethyl]aniline?
The InChIKey is VNYCFMDGOQDVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O3S/c1-10(13-9-18(2)7-8-21-13)17-11-3-5-12(6-4-11)22(19,20)14(15)16/h3-6,10,13-14,17H,7-9H2,1-2H3.
What are the key properties of 4-(difluoromethylsulfonyl)-N-[1-(4-methylmorpholin-2-yl)ethyl]aniline?
4-(difluoromethylsulfonyl)-N-[1-(4-methylmorpholin-2-yl)ethyl]aniline has a molecular weight of 334.39 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-[1-(4-methylmorpholin-2-yl)ethyl]aniline is sourced from PubChem (CID 133386364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).