1-morpholin-4-yl-2-sulfanylethanone

C6H11NO2S — CID 916332

IUPAC1-morpholin-4-yl-2-sulfanylethanone
SMILESO=C(CS)N1CCOCC1
InChIInChI=1S/C6H11NO2S/c8-6(5-10)7-1-3-9-4-2-7/h10H,1-5H2
InChIKeyMCUXYBBFLCGNJU-UHFFFAOYSA-N
MW161.23 g/mol
LogP-0.22
Rot. Bonds1

About 1-morpholin-4-yl-2-sulfanylethanone

1-morpholin-4-yl-2-sulfanylethanone (PubChem CID 916332) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-sulfanylethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-sulfanylethanone
PubChem CID916332
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name1-morpholin-4-yl-2-sulfanylethanone
SMILESO=C(CS)N1CCOCC1
InChIInChI=1S/C6H11NO2S/c8-6(5-10)7-1-3-9-4-2-7/h10H,1-5H2
InChIKeyMCUXYBBFLCGNJU-UHFFFAOYSA-N
XLogP-0.22
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

morpholine-4-carbothioic S-acid
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2-Methyl-1-morpholin-4-yl-3-sulfanylpropan-1-one
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1-Morpholin-4-yl-2-(trifluoromethylsulfanyl)ethanone
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1-Morpholin-4-yl-2-(pentafluoro-lambda6-sulfanyl)ethanone
CID 178346764
2-(Difluoromethylsulfanyl)-1-morpholin-4-ylethanone
CID 57264886
1-Morpholin-4-yl-2-sulfinylethanone
CID 14744574
2-(4-Morpholinyl)-2-oxoethyl thiocyanate
CID 23883586
1-Morpholin-4-ium-4-yl-2-sulfanylethanone
CID 5182798
1-Morpholin-4-yl-4-sulfanylbutan-1-one
CID 12749874
2-Ethylsulfanyl-1-morpholin-4-ylethanone
CID 13539030
2-Methylsulfanyl-1-morpholin-4-ylethanone
CID 20552968
1-(2,6-Dimethylmorpholin-4-yl)-2-sulfanylethanone
CID 22116904

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-sulfanylethanone?
The IUPAC name of 1-morpholin-4-yl-2-sulfanylethanone (CID 916332) is 1-morpholin-4-yl-2-sulfanylethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-sulfanylethanone?
The canonical SMILES for 1-morpholin-4-yl-2-sulfanylethanone is O=C(CS)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-sulfanylethanone?
The InChIKey is MCUXYBBFLCGNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c8-6(5-10)7-1-3-9-4-2-7/h10H,1-5H2.
What are the key properties of 1-morpholin-4-yl-2-sulfanylethanone?
1-morpholin-4-yl-2-sulfanylethanone has a molecular weight of 161.23 g/mol, XLogP of -0.22, 1 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-sulfanylethanone is sourced from PubChem (CID 916332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).