1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)sulfonylethanone

C14H18FNO4S — CID 7036590

IUPAC1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)sulfonylethanone
SMILESC[C@H]1CN(C(=O)CS(=O)(=O)c2ccc(F)cc2)C[C@H](C)O1
InChIInChI=1S/C14H18FNO4S/c1-10-7-16(8-11(2)20-10)14(17)9-21(18,19)13-5-3-12(15)4-6-13/h3-6,10-11H,7-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyATXSEDJBJBBUED-QWRGUYRKSA-N
MW315.37 g/mol
LogP1.24
Rot. Bonds3

About 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)sulfonylethanone

1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)sulfonylethanone (PubChem CID 7036590) has the molecular formula C14H18FNO4S and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)sulfonylethanone.

Molecular Properties

Compound Name1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)sulfonylethanone
PubChem CID7036590
Molecular FormulaC14H18FNO4S
Molecular Weight315.37 g/mol
Exact Mass315.09
IUPAC Name1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)sulfonylethanone
SMILESC[C@H]1CN(C(=O)CS(=O)(=O)c2ccc(F)cc2)C[C@H](C)O1
InChIInChI=1S/C14H18FNO4S/c1-10-7-16(8-11(2)20-10)14(17)9-21(18,19)13-5-3-12(15)4-6-13/h3-6,10-11H,7-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyATXSEDJBJBBUED-QWRGUYRKSA-N
XLogP1.24
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)sulfonylethanone?
The IUPAC name of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)sulfonylethanone (CID 7036590) is 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)sulfonylethanone.
What is the SMILES notation for 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)sulfonylethanone?
The canonical SMILES for 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)sulfonylethanone is C[C@H]1CN(C(=O)CS(=O)(=O)c2ccc(F)cc2)C[C@H](C)O1.
What is the InChIKey of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)sulfonylethanone?
The InChIKey is ATXSEDJBJBBUED-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H18FNO4S/c1-10-7-16(8-11(2)20-10)14(17)9-21(18,19)13-5-3-12(15)4-6-13/h3-6,10-11H,7-9H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)sulfonylethanone?
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)sulfonylethanone has a molecular weight of 315.37 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)sulfonylethanone is sourced from PubChem (CID 7036590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).