2,6-dimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-sulfonamide

C12H24F3N3O3S — CID 51080627

IUPAC2,6-dimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)NCCCN(C)CC(F)(F)F)CC(C)O1
InChIInChI=1S/C12H24F3N3O3S/c1-10-7-18(8-11(2)21-10)22(19,20)16-5-4-6-17(3)9-12(13,14)15/h10-11,16H,4-9H2,1-3H3
InChIKeyPAHWADVLAICVMR-UHFFFAOYSA-N
MW347.40 g/mol
LogP0.81
Rot. Bonds7

About 2,6-dimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-sulfonamide

2,6-dimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-sulfonamide (PubChem CID 51080627) has the molecular formula C12H24F3N3O3S and a molecular weight of 347.40 g/mol. Its IUPAC name is 2,6-dimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-sulfonamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-sulfonamide
PubChem CID51080627
Molecular FormulaC12H24F3N3O3S
Molecular Weight347.40 g/mol
Exact Mass347.15
IUPAC Name2,6-dimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)NCCCN(C)CC(F)(F)F)CC(C)O1
InChIInChI=1S/C12H24F3N3O3S/c1-10-7-18(8-11(2)21-10)22(19,20)16-5-4-6-17(3)9-12(13,14)15/h10-11,16H,4-9H2,1-3H3
InChIKeyPAHWADVLAICVMR-UHFFFAOYSA-N
XLogP0.81
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-sulfonamide?
The IUPAC name of 2,6-dimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-sulfonamide (CID 51080627) is 2,6-dimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-sulfonamide.
What is the SMILES notation for 2,6-dimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-sulfonamide?
The canonical SMILES for 2,6-dimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-sulfonamide is CC1CN(S(=O)(=O)NCCCN(C)CC(F)(F)F)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-sulfonamide?
The InChIKey is PAHWADVLAICVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3O3S/c1-10-7-18(8-11(2)21-10)22(19,20)16-5-4-6-17(3)9-12(13,14)15/h10-11,16H,4-9H2,1-3H3.
What are the key properties of 2,6-dimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-sulfonamide?
2,6-dimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-sulfonamide has a molecular weight of 347.40 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-sulfonamide is sourced from PubChem (CID 51080627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).