1-morpholin-4-yl-2-thiomorpholin-4-ylethane-1,2-dione

C10H16N2O3S — CID 57188519

IUPAC1-morpholin-4-yl-2-thiomorpholin-4-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCSCC1)N1CCOCC1
InChIInChI=1S/C10H16N2O3S/c13-9(11-1-5-15-6-2-11)10(14)12-3-7-16-8-4-12/h1-8H2
InChIKeyQOJGXIDYHJPLOM-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.58
Rot. Bonds

About 1-morpholin-4-yl-2-thiomorpholin-4-ylethane-1,2-dione

1-morpholin-4-yl-2-thiomorpholin-4-ylethane-1,2-dione (PubChem CID 57188519) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-thiomorpholin-4-ylethane-1,2-dione.

Molecular Properties

Compound Name1-morpholin-4-yl-2-thiomorpholin-4-ylethane-1,2-dione
PubChem CID57188519
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name1-morpholin-4-yl-2-thiomorpholin-4-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCSCC1)N1CCOCC1
InChIInChI=1S/C10H16N2O3S/c13-9(11-1-5-15-6-2-11)10(14)12-3-7-16-8-4-12/h1-8H2
InChIKeyQOJGXIDYHJPLOM-UHFFFAOYSA-N
XLogP-0.58
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2-Dimorpholinoethanone
CID 242924
2-Methylsulfanyl-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone
CID 51078513
4-Methyl-1-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-2-one
CID 57957706
2-Morpholin-4-yl-1-thiomorpholin-4-ylethanone
CID 66546738
2-(2,6-Dimethylmorpholin-4-yl)-1-thiomorpholin-4-ylethanone
CID 66546741
1-(1,1-Dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethanone
CID 66546918
1-(1,1-Dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethane-1,2-dione
CID 69453884
2-(2,2-Dimethylmorpholin-4-yl)-1-thiomorpholin-4-ylethanone
CID 70869769
2-Morpholin-4-yl-1-[4-(1-sulfanylethyl)piperazin-1-yl]ethanone
CID 138608096
4-(2-Morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide
CID 141027143
6-Morpholin-4-yl-4-thiomorpholin-4-ylthiomorpholine-2,3-dione
CID 153769503
1-(4-Methylsulfanylpiperidin-1-yl)-2-morpholin-4-ylethanone
CID 155470122

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-thiomorpholin-4-ylethane-1,2-dione?
The IUPAC name of 1-morpholin-4-yl-2-thiomorpholin-4-ylethane-1,2-dione (CID 57188519) is 1-morpholin-4-yl-2-thiomorpholin-4-ylethane-1,2-dione.
What is the SMILES notation for 1-morpholin-4-yl-2-thiomorpholin-4-ylethane-1,2-dione?
The canonical SMILES for 1-morpholin-4-yl-2-thiomorpholin-4-ylethane-1,2-dione is O=C(C(=O)N1CCSCC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-thiomorpholin-4-ylethane-1,2-dione?
The InChIKey is QOJGXIDYHJPLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c13-9(11-1-5-15-6-2-11)10(14)12-3-7-16-8-4-12/h1-8H2.
What are the key properties of 1-morpholin-4-yl-2-thiomorpholin-4-ylethane-1,2-dione?
1-morpholin-4-yl-2-thiomorpholin-4-ylethane-1,2-dione has a molecular weight of 244.32 g/mol, XLogP of -0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-thiomorpholin-4-ylethane-1,2-dione is sourced from PubChem (CID 57188519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).