6-[2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]morpholin-3-one

C14H16F3NO4S — CID 67131303

IUPAC6-[2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]morpholin-3-one
SMILESCC(CC1CNC(=O)CO1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3NO4S/c1-9(5-11-7-18-13(19)8-22-11)23(20,21)12-4-2-3-10(6-12)14(15,16)17/h2-4,6,9,11H,5,7-8H2,1H3,(H,18,19)
InChIKeyTXVUFJRUUZSMNZ-UHFFFAOYSA-N
MW351.35 g/mol
LogP1.77
Rot. Bonds4

About 6-[2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]morpholin-3-one

6-[2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]morpholin-3-one (PubChem CID 67131303) has the molecular formula C14H16F3NO4S and a molecular weight of 351.35 g/mol. Its IUPAC name is 6-[2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]morpholin-3-one.

Molecular Properties

Compound Name6-[2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]morpholin-3-one
PubChem CID67131303
Molecular FormulaC14H16F3NO4S
Molecular Weight351.35 g/mol
Exact Mass351.08
IUPAC Name6-[2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]morpholin-3-one
SMILESCC(CC1CNC(=O)CO1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3NO4S/c1-9(5-11-7-18-13(19)8-22-11)23(20,21)12-4-2-3-10(6-12)14(15,16)17/h2-4,6,9,11H,5,7-8H2,1H3,(H,18,19)
InChIKeyTXVUFJRUUZSMNZ-UHFFFAOYSA-N
XLogP1.77
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(Trifluoromethyl)phenyl]sulfanylmorpholin-3-one
CID 10826366
6-(1-Methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}ethyl)morpholin-3-one
CID 45256334
1-Morpholin-4-yl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]ethanone
CID 51041587
6-[1-[3-(Trifluoromethyl)phenyl]sulfonylpropan-2-yl]morpholin-3-one
CID 67131302
1-[4-(1-Methylpiperidin-4-yl)piperazin-1-yl]-2-[piperidin-2-yl-[3-(trifluoromethyl)phenyl]sulfonylmethoxy]ethanone
CID 68777020
1-[4-[3-(Dimethylamino)propyl]piperazin-1-yl]-2-[piperidin-2-yl-[3-(trifluoromethyl)phenyl]sulfonylmethoxy]ethanone
CID 68778893
2-[Piperidin-2-yl-[3-(trifluoromethyl)phenyl]sulfonylmethoxy]acetic acid
CID 69323977
4,5-Dihydro-1,3-oxazol-2-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
CID 70863070
2,2,2-trifluoro-N-[3-[3-(5-methoxypentylsulfonyl)phenyl]propyl]acetamide
CID 87281220
6-[2-[3-(Trifluoromethyl)phenyl]sulfanylpropan-2-yl]morpholin-3-one
CID 91440785
N-(1-cyclopropyl-2-oxoethyl)-4-methyl-4-((3-(trifluoromethyl)phenyl)sulfonyl)tetrahydro-2H-pyran-2-carboxamide
CID 118434244
methyl 2-cyclopropyl-2-(4-methyl-4-((3-(trifluoromethyl)phenyl)sulfonyl)tetrahydro-2H-pyran-2-carboxamido)acetate
CID 118434400

Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]morpholin-3-one?
The IUPAC name of 6-[2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]morpholin-3-one (CID 67131303) is 6-[2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]morpholin-3-one.
What is the SMILES notation for 6-[2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]morpholin-3-one?
The canonical SMILES for 6-[2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]morpholin-3-one is CC(CC1CNC(=O)CO1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-[2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]morpholin-3-one?
The InChIKey is TXVUFJRUUZSMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO4S/c1-9(5-11-7-18-13(19)8-22-11)23(20,21)12-4-2-3-10(6-12)14(15,16)17/h2-4,6,9,11H,5,7-8H2,1H3,(H,18,19).
What are the key properties of 6-[2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]morpholin-3-one?
6-[2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]morpholin-3-one has a molecular weight of 351.35 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]morpholin-3-one is sourced from PubChem (CID 67131303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).