2-morpholin-4-ylethyl 2-(4-fluorophenyl)sulfanylacetate

C14H18FNO3S — CID 2469421

IUPAC2-morpholin-4-ylethyl 2-(4-fluorophenyl)sulfanylacetate
SMILESO=C(CSc1ccc(F)cc1)OCCN1CCOCC1
InChIInChI=1S/C14H18FNO3S/c15-12-1-3-13(4-2-12)20-11-14(17)19-10-7-16-5-8-18-9-6-16/h1-4H,5-11H2
InChIKeyVPHAPAQXJAXTAO-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.79
Rot. Bonds6

About 2-morpholin-4-ylethyl 2-(4-fluorophenyl)sulfanylacetate

2-morpholin-4-ylethyl 2-(4-fluorophenyl)sulfanylacetate (PubChem CID 2469421) has the molecular formula C14H18FNO3S and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2-(4-fluorophenyl)sulfanylacetate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2-(4-fluorophenyl)sulfanylacetate
PubChem CID2469421
Molecular FormulaC14H18FNO3S
Molecular Weight299.37 g/mol
Exact Mass299.10
IUPAC Name2-morpholin-4-ylethyl 2-(4-fluorophenyl)sulfanylacetate
SMILESO=C(CSc1ccc(F)cc1)OCCN1CCOCC1
InChIInChI=1S/C14H18FNO3S/c15-12-1-3-13(4-2-12)20-11-14(17)19-10-7-16-5-8-18-9-6-16/h1-4H,5-11H2
InChIKeyVPHAPAQXJAXTAO-UHFFFAOYSA-N
XLogP1.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Fluorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one
CID 588543
4-[2-(Benzenesulfonyl)ethyl]morpholine
CID 2818767
Phenylthioacetic acid, morpholide
CID 532039
4-[4-(Phenylthio)butyl]morpholine hydrochloride
CID 2993739
4-[3-(Phenylthio)propanoyl]morpholine
CID 875838
2-[(4-Fluorophenyl)sulfanyl]-1-morpholino-1-ethanone
CID 1486398
2-[(4-Fluorophenyl)sulfonyl]-1-morpholino-1-ethanone
CID 1486407
4-{2-[2-(Phenylthio)ethoxy]ethyl}morpholine hydrochloride
CID 2993677
2-[(4-Fluorophenyl)sulfinyl]-1-(4-morpholinyl)ethanone
CID 3347399
4-(2-((4-Fluorophenyl)sulfonyl)ethyl)morpholine
CID 214242
Acetic acid, (phenylthio)-, 2-(dimethylamino)-1-methylethyl ester
CID 37284
4-[2-(Phenylsulfanyl)ethyl]morpholine
CID 739875

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 2-(4-fluorophenyl)sulfanylacetate?
The IUPAC name of 2-morpholin-4-ylethyl 2-(4-fluorophenyl)sulfanylacetate (CID 2469421) is 2-morpholin-4-ylethyl 2-(4-fluorophenyl)sulfanylacetate.
What is the SMILES notation for 2-morpholin-4-ylethyl 2-(4-fluorophenyl)sulfanylacetate?
The canonical SMILES for 2-morpholin-4-ylethyl 2-(4-fluorophenyl)sulfanylacetate is O=C(CSc1ccc(F)cc1)OCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylethyl 2-(4-fluorophenyl)sulfanylacetate?
The InChIKey is VPHAPAQXJAXTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3S/c15-12-1-3-13(4-2-12)20-11-14(17)19-10-7-16-5-8-18-9-6-16/h1-4H,5-11H2.
What are the key properties of 2-morpholin-4-ylethyl 2-(4-fluorophenyl)sulfanylacetate?
2-morpholin-4-ylethyl 2-(4-fluorophenyl)sulfanylacetate has a molecular weight of 299.37 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 2-(4-fluorophenyl)sulfanylacetate is sourced from PubChem (CID 2469421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).