1-morpholin-4-yl-2-[3-(2-sulfanylethynyl)phenyl]ethanone

C14H15NO2S — CID 143637046

IUPAC1-morpholin-4-yl-2-[3-(2-sulfanylethynyl)phenyl]ethanone
SMILESO=C(Cc1cccc(C#CS)c1)N1CCOCC1
InChIInChI=1S/C14H15NO2S/c16-14(15-5-7-17-8-6-15)11-13-3-1-2-12(10-13)4-9-18/h1-3,10,18H,5-8,11H2
InChIKeyUEBKJIFUMFICQN-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.33
Rot. Bonds2

About 1-morpholin-4-yl-2-[3-(2-sulfanylethynyl)phenyl]ethanone

1-morpholin-4-yl-2-[3-(2-sulfanylethynyl)phenyl]ethanone (PubChem CID 143637046) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[3-(2-sulfanylethynyl)phenyl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[3-(2-sulfanylethynyl)phenyl]ethanone
PubChem CID143637046
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name1-morpholin-4-yl-2-[3-(2-sulfanylethynyl)phenyl]ethanone
SMILESO=C(Cc1cccc(C#CS)c1)N1CCOCC1
InChIInChI=1S/C14H15NO2S/c16-14(15-5-7-17-8-6-15)11-13-3-1-2-12(10-13)4-9-18/h1-3,10,18H,5-8,11H2
InChIKeyUEBKJIFUMFICQN-UHFFFAOYSA-N
XLogP1.33
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenyl)-1-morpholin-4-ylethanone;1-morpholin-4-yl-2-[3-(2-trimethylsilylethynyl)phenyl]ethanone
CID 162234875
2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 1485657
2-(3-ethynylphenyl)-1-morpholin-4-ylethanone;1-morpholin-4-yl-2-[3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]ethanone
CID 161375681
2-(3-methoxy-4-methylphenyl)-1-morpholin-4-ylethanone
CID 60700942
1-morpholin-4-yl-2-[3-(triazol-1-yl)phenyl]ethanone
CID 141342527
N-hydroxy-4-[3-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 87916102
N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-ynamide
CID 122144724
2-(4-amino-3-hydroxyphenyl)-1-morpholin-4-ylethanone
CID 69370465
1-morpholin-4-yl-2-(4-phenoxyphenyl)ethanone
CID 110768044
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 91770233
2-(3-ethenyl-4-fluorophenyl)-1-morpholin-4-ylethanone
CID 176516089

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[3-(2-sulfanylethynyl)phenyl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[3-(2-sulfanylethynyl)phenyl]ethanone (CID 143637046) is 1-morpholin-4-yl-2-[3-(2-sulfanylethynyl)phenyl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[3-(2-sulfanylethynyl)phenyl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[3-(2-sulfanylethynyl)phenyl]ethanone is O=C(Cc1cccc(C#CS)c1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[3-(2-sulfanylethynyl)phenyl]ethanone?
The InChIKey is UEBKJIFUMFICQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c16-14(15-5-7-17-8-6-15)11-13-3-1-2-12(10-13)4-9-18/h1-3,10,18H,5-8,11H2.
What are the key properties of 1-morpholin-4-yl-2-[3-(2-sulfanylethynyl)phenyl]ethanone?
1-morpholin-4-yl-2-[3-(2-sulfanylethynyl)phenyl]ethanone has a molecular weight of 261.35 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[3-(2-sulfanylethynyl)phenyl]ethanone is sourced from PubChem (CID 143637046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).