4-(difluoromethylsulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline

C15H22F2N2O3S — CID 47053508

IUPAC4-(difluoromethylsulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline
SMILESCC1CN(CCNc2ccc(S(=O)(=O)C(F)F)cc2)CC(C)O1
InChIInChI=1S/C15H22F2N2O3S/c1-11-9-19(10-12(2)22-11)8-7-18-13-3-5-14(6-4-13)23(20,21)15(16)17/h3-6,11-12,15,18H,7-10H2,1-2H3
InChIKeyUBVGHZOUPMUEOE-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.20
Rot. Bonds6

About 4-(difluoromethylsulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline

4-(difluoromethylsulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline (PubChem CID 47053508) has the molecular formula C15H22F2N2O3S and a molecular weight of 348.42 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline
PubChem CID47053508
Molecular FormulaC15H22F2N2O3S
Molecular Weight348.42 g/mol
Exact Mass348.13
IUPAC Name4-(difluoromethylsulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline
SMILESCC1CN(CCNc2ccc(S(=O)(=O)C(F)F)cc2)CC(C)O1
InChIInChI=1S/C15H22F2N2O3S/c1-11-9-19(10-12(2)22-11)8-7-18-13-3-5-14(6-4-13)23(20,21)15(16)17/h3-6,11-12,15,18H,7-10H2,1-2H3
InChIKeyUBVGHZOUPMUEOE-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline (CID 47053508) is 4-(difluoromethylsulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline is CC1CN(CCNc2ccc(S(=O)(=O)C(F)F)cc2)CC(C)O1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline?
The InChIKey is UBVGHZOUPMUEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O3S/c1-11-9-19(10-12(2)22-11)8-7-18-13-3-5-14(6-4-13)23(20,21)15(16)17/h3-6,11-12,15,18H,7-10H2,1-2H3.
What are the key properties of 4-(difluoromethylsulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline?
4-(difluoromethylsulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline has a molecular weight of 348.42 g/mol, XLogP of 2.20, 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-(2,6-dimethylmorpholin-4-yl)ethyl]aniline is sourced from PubChem (CID 47053508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).