4-(difluoromethylsulfonyl)-N-(2-methyl-2-morpholin-4-ylpropyl)aniline

C15H22F2N2O3S — CID 47046016

IUPAC4-(difluoromethylsulfonyl)-N-(2-methyl-2-morpholin-4-ylpropyl)aniline
SMILESCC(C)(CNc1ccc(S(=O)(=O)C(F)F)cc1)N1CCOCC1
InChIInChI=1S/C15H22F2N2O3S/c1-15(2,19-7-9-22-10-8-19)11-18-12-3-5-13(6-4-12)23(20,21)14(16)17/h3-6,14,18H,7-11H2,1-2H3
InChIKeyMMXDODQREVKNIX-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.21
Rot. Bonds6

About 4-(difluoromethylsulfonyl)-N-(2-methyl-2-morpholin-4-ylpropyl)aniline

4-(difluoromethylsulfonyl)-N-(2-methyl-2-morpholin-4-ylpropyl)aniline (PubChem CID 47046016) has the molecular formula C15H22F2N2O3S and a molecular weight of 348.42 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-(2-methyl-2-morpholin-4-ylpropyl)aniline.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-(2-methyl-2-morpholin-4-ylpropyl)aniline
PubChem CID47046016
Molecular FormulaC15H22F2N2O3S
Molecular Weight348.42 g/mol
Exact Mass348.13
IUPAC Name4-(difluoromethylsulfonyl)-N-(2-methyl-2-morpholin-4-ylpropyl)aniline
SMILESCC(C)(CNc1ccc(S(=O)(=O)C(F)F)cc1)N1CCOCC1
InChIInChI=1S/C15H22F2N2O3S/c1-15(2,19-7-9-22-10-8-19)11-18-12-3-5-13(6-4-12)23(20,21)14(16)17/h3-6,14,18H,7-11H2,1-2H3
InChIKeyMMXDODQREVKNIX-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

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CID 735904
1-[2-Fluoro-4-(methylsulfonyl)phenyl]piperazine
CID 2782730
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CID 9503324
N-(4-{[2-(morpholin-4-yl)ethyl]sulfamoyl}phenyl)acetamide
CID 669169
N-(3-morpholinopropyl)-2-nitro-4-((trifluoromethyl)sulfonyl)aniline
CID 18590739
1-[4-(Difluoromethylsulfonyl)phenyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
CID 47032731
2-(difluoromethylsulfonyl)-N-(2-methyl-2-morpholin-4-ylpropyl)aniline
CID 53542676
1-[4-(Difluoromethylsulfonyl)anilino]-2-methylbutan-2-ol
CID 63963191
6-({4-[2-Fluoro-4-(methylsulfonyl)phenyl]piperazin-1-yl}methyl)-1,4-oxazepan-6-ol
CID 70711682
4-(2-Fluoro-4-methylsulfonylphenyl)morpholine
CID 4231177
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CID 4694707
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CID 43447963

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-(2-methyl-2-morpholin-4-ylpropyl)aniline?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-(2-methyl-2-morpholin-4-ylpropyl)aniline (CID 47046016) is 4-(difluoromethylsulfonyl)-N-(2-methyl-2-morpholin-4-ylpropyl)aniline.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-(2-methyl-2-morpholin-4-ylpropyl)aniline?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-(2-methyl-2-morpholin-4-ylpropyl)aniline is CC(C)(CNc1ccc(S(=O)(=O)C(F)F)cc1)N1CCOCC1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-(2-methyl-2-morpholin-4-ylpropyl)aniline?
The InChIKey is MMXDODQREVKNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O3S/c1-15(2,19-7-9-22-10-8-19)11-18-12-3-5-13(6-4-12)23(20,21)14(16)17/h3-6,14,18H,7-11H2,1-2H3.
What are the key properties of 4-(difluoromethylsulfonyl)-N-(2-methyl-2-morpholin-4-ylpropyl)aniline?
4-(difluoromethylsulfonyl)-N-(2-methyl-2-morpholin-4-ylpropyl)aniline 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-(difluoromethylsulfonyl)-N-(2-methyl-2-morpholin-4-ylpropyl)aniline is sourced from PubChem (CID 47046016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).