2-(difluoromethylsulfanyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline

C13H18F2N2OS — CID 79171689

IUPAC2-(difluoromethylsulfanyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline
SMILESCN1CCOC(CNc2ccccc2SC(F)F)C1
InChIInChI=1S/C13H18F2N2OS/c1-17-6-7-18-10(9-17)8-16-11-4-2-3-5-12(11)19-13(14)15/h2-5,10,13,16H,6-9H2,1H3
InChIKeySIJNIQHEAMGFKK-UHFFFAOYSA-N
MW288.36 g/mol
LogP2.74
Rot. Bonds5

About 2-(difluoromethylsulfanyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline

2-(difluoromethylsulfanyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline (PubChem CID 79171689) has the molecular formula C13H18F2N2OS and a molecular weight of 288.36 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline
PubChem CID79171689
Molecular FormulaC13H18F2N2OS
Molecular Weight288.36 g/mol
Exact Mass288.11
IUPAC Name2-(difluoromethylsulfanyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline
SMILESCN1CCOC(CNc2ccccc2SC(F)F)C1
InChIInChI=1S/C13H18F2N2OS/c1-17-6-7-18-10(9-17)8-16-11-4-2-3-5-12(11)19-13(14)15/h2-5,10,13,16H,6-9H2,1H3
InChIKeySIJNIQHEAMGFKK-UHFFFAOYSA-N
XLogP2.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethylsulfanyl)phenyl]-2,6-dimethylmorpholine-4-carbothioamide
CID 4084703
2(3H)-Benzothiazolethione, compd. with 2,6-dimethylmorpholine (1:1)
CID 6454576
2-(2,6-dimethylmorpholin-4-yl)-N-(2-methylsulfanylphenyl)acetamide
CID 3610339
N-(2-methylsulfanylphenyl)morpholine-4-carboxamide
CID 24103316
4-(difluoromethylsulfonyl)-N-(2-methyl-2-morpholin-4-ylpropyl)aniline
CID 47046016
2-(difluoromethylsulfonyl)-N-(2-methyl-2-morpholin-4-ylpropyl)aniline
CID 53542676
N-(2-methylsulfanylphenyl)-2-(3-morpholin-4-ylpropylamino)acetamide
CID 2119422
2-fluoro-4-methylsulfonyl-N-(3-morpholin-4-ylpropyl)aniline
CID 5205949
N-(2-methylsulfanylphenyl)-3-morpholin-4-ylpropanamide
CID 24588594
2-methylsulfonyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]aniline
CID 164630945
4-(2-Morpholin-4-ylethylamino)-3-(trifluoromethylsulfinyl)benzenethiol
CID 67227191
4-(3-Morpholin-4-ylpropylamino)-3-(trifluoromethylsulfonyl)benzenesulfonamide
CID 67227213

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline (CID 79171689) is 2-(difluoromethylsulfanyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline is CN1CCOC(CNc2ccccc2SC(F)F)C1.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline?
The InChIKey is SIJNIQHEAMGFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2OS/c1-17-6-7-18-10(9-17)8-16-11-4-2-3-5-12(11)19-13(14)15/h2-5,10,13,16H,6-9H2,1H3.
What are the key properties of 2-(difluoromethylsulfanyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline?
2-(difluoromethylsulfanyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline has a molecular weight of 288.36 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline is sourced from PubChem (CID 79171689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).