methyl 4-[2-(4-fluorophenyl)sulfanylacetyl]morpholine-3-carboxylate

C14H16FNO4S — CID 115670262

IUPACmethyl 4-[2-(4-fluorophenyl)sulfanylacetyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)CSc1ccc(F)cc1
InChIInChI=1S/C14H16FNO4S/c1-19-14(18)12-8-20-7-6-16(12)13(17)9-21-11-4-2-10(15)3-5-11/h2-5,12H,6-9H2,1H3
InChIKeyIWHFOSQPGMECMG-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.32
Rot. Bonds4

About methyl 4-[2-(4-fluorophenyl)sulfanylacetyl]morpholine-3-carboxylate

methyl 4-[2-(4-fluorophenyl)sulfanylacetyl]morpholine-3-carboxylate (PubChem CID 115670262) has the molecular formula C14H16FNO4S and a molecular weight of 313.35 g/mol. Its IUPAC name is methyl 4-[2-(4-fluorophenyl)sulfanylacetyl]morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(4-fluorophenyl)sulfanylacetyl]morpholine-3-carboxylate
PubChem CID115670262
Molecular FormulaC14H16FNO4S
Molecular Weight313.35 g/mol
Exact Mass313.08
IUPAC Namemethyl 4-[2-(4-fluorophenyl)sulfanylacetyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)CSc1ccc(F)cc1
InChIInChI=1S/C14H16FNO4S/c1-19-14(18)12-8-20-7-6-16(12)13(17)9-21-11-4-2-10(15)3-5-11/h2-5,12H,6-9H2,1H3
InChIKeyIWHFOSQPGMECMG-UHFFFAOYSA-N
XLogP1.32
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(2-pyridin-4-ylsulfanylacetyl)morpholine-3-carboxylate
CID 115669932
methyl 1-[2-(4-fluorophenyl)sulfanylacetyl]pyrrolidine-2-carboxylate
CID 43409959
methyl 4-(4-fluoro-2-hydroxybenzoyl)morpholine-3-carboxylate
CID 103889289
methyl 4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxylate
CID 104774429
methyl 1-[2-(4-chlorophenyl)sulfanylacetyl]pyrrolidine-2-carboxylate
CID 43409923
methyl 4-[(2,4-difluorophenyl)methyl]morpholine-3-carboxylate
CID 113253204
methyl 4-(4-methylpentanoyl)morpholine-3-carboxylate
CID 115670163
methyl 4-[(3-fluorophenyl)carbamoyl]morpholine-3-carboxylate
CID 104774908
methyl 4-(4-hydroxypentanoyl)morpholine-3-carboxylate
CID 113451830
methyl 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylate
CID 104919956
methyl 1-(2-pyridin-4-ylsulfanylacetyl)pyrrolidine-2-carboxylate
CID 43422559
methyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate
CID 103514384

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(4-fluorophenyl)sulfanylacetyl]morpholine-3-carboxylate?
The IUPAC name of methyl 4-[2-(4-fluorophenyl)sulfanylacetyl]morpholine-3-carboxylate (CID 115670262) is methyl 4-[2-(4-fluorophenyl)sulfanylacetyl]morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-[2-(4-fluorophenyl)sulfanylacetyl]morpholine-3-carboxylate?
The canonical SMILES for methyl 4-[2-(4-fluorophenyl)sulfanylacetyl]morpholine-3-carboxylate is COC(=O)C1COCCN1C(=O)CSc1ccc(F)cc1.
What is the InChIKey of methyl 4-[2-(4-fluorophenyl)sulfanylacetyl]morpholine-3-carboxylate?
The InChIKey is IWHFOSQPGMECMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4S/c1-19-14(18)12-8-20-7-6-16(12)13(17)9-21-11-4-2-10(15)3-5-11/h2-5,12H,6-9H2,1H3.
What are the key properties of methyl 4-[2-(4-fluorophenyl)sulfanylacetyl]morpholine-3-carboxylate?
methyl 4-[2-(4-fluorophenyl)sulfanylacetyl]morpholine-3-carboxylate has a molecular weight of 313.35 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(4-fluorophenyl)sulfanylacetyl]morpholine-3-carboxylate is sourced from PubChem (CID 115670262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).