N-[[4-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]morpholin-3-yl]methyl]methanesulfonamide

C15H21F3N2O3S — CID 154741632

IUPACN-[[4-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]morpholin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1COCCN1Cc1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O3S/c1-24(21,22)19-9-14-11-23-7-6-20(14)10-13-4-2-12(3-5-13)8-15(16,17)18/h2-5,14,19H,6-11H2,1H3
InChIKeyJMYZWYYSLSEGFS-UHFFFAOYSA-N
MW366.41 g/mol
LogP1.54
Rot. Bonds6

About N-[[4-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]morpholin-3-yl]methyl]methanesulfonamide

N-[[4-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]morpholin-3-yl]methyl]methanesulfonamide (PubChem CID 154741632) has the molecular formula C15H21F3N2O3S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-[[4-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]morpholin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]morpholin-3-yl]methyl]methanesulfonamide
PubChem CID154741632
Molecular FormulaC15H21F3N2O3S
Molecular Weight366.41 g/mol
Exact Mass366.12
IUPAC NameN-[[4-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]morpholin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1COCCN1Cc1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O3S/c1-24(21,22)19-9-14-11-23-7-6-20(14)10-13-4-2-12(3-5-13)8-15(16,17)18/h2-5,14,19H,6-11H2,1H3
InChIKeyJMYZWYYSLSEGFS-UHFFFAOYSA-N
XLogP1.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]morpholin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]morpholin-3-yl]methyl]methanesulfonamide (CID 154741632) is N-[[4-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]morpholin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]morpholin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]morpholin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1COCCN1Cc1ccc(CC(F)(F)F)cc1.
What is the InChIKey of N-[[4-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]morpholin-3-yl]methyl]methanesulfonamide?
The InChIKey is JMYZWYYSLSEGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O3S/c1-24(21,22)19-9-14-11-23-7-6-20(14)10-13-4-2-12(3-5-13)8-15(16,17)18/h2-5,14,19H,6-11H2,1H3.
What are the key properties of N-[[4-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]morpholin-3-yl]methyl]methanesulfonamide?
N-[[4-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]morpholin-3-yl]methyl]methanesulfonamide has a molecular weight of 366.41 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]morpholin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 154741632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).