1-(2,6-dimethylmorpholin-4-yl)-2-sulfanylethanone

C8H15NO2S — CID 22116904

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-sulfanylethanone
SMILESCC1CN(C(=O)CS)CC(C)O1
InChIInChI=1S/C8H15NO2S/c1-6-3-9(8(10)5-12)4-7(2)11-6/h6-7,12H,3-5H2,1-2H3
InChIKeyIGDGGGVFQIRAMZ-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.55
Rot. Bonds1

About 1-(2,6-dimethylmorpholin-4-yl)-2-sulfanylethanone

1-(2,6-dimethylmorpholin-4-yl)-2-sulfanylethanone (PubChem CID 22116904) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-sulfanylethanone.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-sulfanylethanone
PubChem CID22116904
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-sulfanylethanone
SMILESCC1CN(C(=O)CS)CC(C)O1
InChIInChI=1S/C8H15NO2S/c1-6-3-9(8(10)5-12)4-7(2)11-6/h6-7,12H,3-5H2,1-2H3
InChIKeyIGDGGGVFQIRAMZ-UHFFFAOYSA-N
XLogP0.55
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.55
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-(mercaptoacetyl)-
CID 916332
2-Methyl-1-morpholin-4-yl-3-sulfanylpropan-1-one
CID 72947310
1-(2,2-Dimethylmorpholin-4-yl)-2-(2-methoxyethylsulfanyl)ethanone
CID 45816513
1-(2,2-Dimethylmorpholin-4-yl)-2-methylsulfanylpropan-1-one
CID 45819888
Morpholine, 4-acetyl-2,6-dimethyl-
CID 3361054
1-[2-(Fluoromethyl)morpholin-4-yl]-2-methylsulfanylpropan-1-one
CID 126794051
1-(2-Ethylmorpholin-4-yl)-2-methylsulfanylpropan-1-one
CID 45819811
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 10725609
1-Morpholin-4-yl-4-sulfanylbutan-1-one
CID 12749874
1-(2-Methylmorpholin-4-yl)propan-1-one
CID 19710756
1-((2R,6S)-2,6-Dimethylmorpholino)ethanone
CID 45086096
1-Morpholin-4-yl-3-sulfanylpropan-1-one
CID 53764276

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-sulfanylethanone?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-sulfanylethanone (CID 22116904) is 1-(2,6-dimethylmorpholin-4-yl)-2-sulfanylethanone.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-sulfanylethanone?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-sulfanylethanone is CC1CN(C(=O)CS)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-sulfanylethanone?
The InChIKey is IGDGGGVFQIRAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-6-3-9(8(10)5-12)4-7(2)11-6/h6-7,12H,3-5H2,1-2H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-sulfanylethanone?
1-(2,6-dimethylmorpholin-4-yl)-2-sulfanylethanone has a molecular weight of 189.28 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-sulfanylethanone is sourced from PubChem (CID 22116904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).