4-[[2-(difluoromethylsulfonyl)anilino]methyl]-N,N-dimethyloxan-4-amine

C15H22F2N2O3S — CID 133312246

IUPAC4-[[2-(difluoromethylsulfonyl)anilino]methyl]-N,N-dimethyloxan-4-amine
SMILESCN(C)C1(CNc2ccccc2S(=O)(=O)C(F)F)CCOCC1
InChIInChI=1S/C15H22F2N2O3S/c1-19(2)15(7-9-22-10-8-15)11-18-12-5-3-4-6-13(12)23(20,21)14(16)17/h3-6,14,18H,7-11H2,1-2H3
InChIKeyLTLANBBGNYIWNW-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.21
Rot. Bonds6

About 4-[[2-(difluoromethylsulfonyl)anilino]methyl]-N,N-dimethyloxan-4-amine

4-[[2-(difluoromethylsulfonyl)anilino]methyl]-N,N-dimethyloxan-4-amine (PubChem CID 133312246) has the molecular formula C15H22F2N2O3S and a molecular weight of 348.42 g/mol. Its IUPAC name is 4-[[2-(difluoromethylsulfonyl)anilino]methyl]-N,N-dimethyloxan-4-amine.

Molecular Properties

Compound Name4-[[2-(difluoromethylsulfonyl)anilino]methyl]-N,N-dimethyloxan-4-amine
PubChem CID133312246
Molecular FormulaC15H22F2N2O3S
Molecular Weight348.42 g/mol
Exact Mass348.13
IUPAC Name4-[[2-(difluoromethylsulfonyl)anilino]methyl]-N,N-dimethyloxan-4-amine
SMILESCN(C)C1(CNc2ccccc2S(=O)(=O)C(F)F)CCOCC1
InChIInChI=1S/C15H22F2N2O3S/c1-19(2)15(7-9-22-10-8-15)11-18-12-5-3-4-6-13(12)23(20,21)14(16)17/h3-6,14,18H,7-11H2,1-2H3
InChIKeyLTLANBBGNYIWNW-UHFFFAOYSA-N
XLogP2.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-Fluoro-2-(methylsulfonyl)phenyl]piperazine
CID 2782731
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2-(difluoromethylsulfonyl)-N-(2-methyl-2-morpholin-4-ylpropyl)aniline
CID 53542676
2-methylsulfonyl-N-[(2-propan-2-yloxolan-3-yl)methyl]aniline
CID 71977936
N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-fluoro-2-(trifluoromethylsulfonyl)aniline
CID 100642163
2-methylsulfonyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]aniline
CID 164630945
1-[2-(Methylsulphonyl)phenyl]piperazine
CID 11218677
4-(Oxan-4-ylmethylamino)-3-(trifluoromethylsulfonyl)benzenesulfonamide
CID 67169257
1-(5-Fluoro-2-methane sulfonylphenyl)piperazine
CID 69074617
1-[2-Fluoro-4-(oxan-4-ylsulfonyl)phenyl]piperazine
CID 69291984
(3R)-1-(5-fluoro-2-methylsulfonylphenyl)-3-methylpiperazine
CID 70277093
1-tert-butyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine
CID 123500616

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(difluoromethylsulfonyl)anilino]methyl]-N,N-dimethyloxan-4-amine?
The IUPAC name of 4-[[2-(difluoromethylsulfonyl)anilino]methyl]-N,N-dimethyloxan-4-amine (CID 133312246) is 4-[[2-(difluoromethylsulfonyl)anilino]methyl]-N,N-dimethyloxan-4-amine.
What is the SMILES notation for 4-[[2-(difluoromethylsulfonyl)anilino]methyl]-N,N-dimethyloxan-4-amine?
The canonical SMILES for 4-[[2-(difluoromethylsulfonyl)anilino]methyl]-N,N-dimethyloxan-4-amine is CN(C)C1(CNc2ccccc2S(=O)(=O)C(F)F)CCOCC1.
What is the InChIKey of 4-[[2-(difluoromethylsulfonyl)anilino]methyl]-N,N-dimethyloxan-4-amine?
The InChIKey is LTLANBBGNYIWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O3S/c1-19(2)15(7-9-22-10-8-15)11-18-12-5-3-4-6-13(12)23(20,21)14(16)17/h3-6,14,18H,7-11H2,1-2H3.
What are the key properties of 4-[[2-(difluoromethylsulfonyl)anilino]methyl]-N,N-dimethyloxan-4-amine?
4-[[2-(difluoromethylsulfonyl)anilino]methyl]-N,N-dimethyloxan-4-amine has a molecular weight of 348.42 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(difluoromethylsulfonyl)anilino]methyl]-N,N-dimethyloxan-4-amine is sourced from PubChem (CID 133312246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).