1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethane-1,2-dione

C10H16N2O5S — CID 69453884

IUPAC1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCS(=O)(=O)CC1)N1CCOCC1
InChIInChI=1S/C10H16N2O5S/c13-9(11-1-5-17-6-2-11)10(14)12-3-7-18(15,16)8-4-12/h1-8H2
InChIKeyHRCDECXSKZRMRT-UHFFFAOYSA-N
MW276.31 g/mol
LogP-1.90
Rot. Bonds

About 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethane-1,2-dione

1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethane-1,2-dione (PubChem CID 69453884) has the molecular formula C10H16N2O5S and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethane-1,2-dione
PubChem CID69453884
Molecular FormulaC10H16N2O5S
Molecular Weight276.31 g/mol
Exact Mass276.08
IUPAC Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCS(=O)(=O)CC1)N1CCOCC1
InChIInChI=1S/C10H16N2O5S/c13-9(11-1-5-17-6-2-11)10(14)12-3-7-18(15,16)8-4-12/h1-8H2
InChIKeyHRCDECXSKZRMRT-UHFFFAOYSA-N
XLogP-1.90
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 5-1.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethane-1,2-dione with MolForge

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Related Compounds

2-Methylsulfanyl-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone
CID 51078513
1-Morpholin-4-yl-2-thiomorpholin-4-ylethane-1,2-dione
CID 57188519
2-Morpholin-4-yl-1-thiomorpholin-4-ylethanone
CID 66546738
1-(1,1-Dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethanone
CID 66546918
Methyl 2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-methylamino]acetate
CID 117811453
1-(1,1-Dioxo-1,4-thiazinan-4-yl)-2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-methylamino]ethanone
CID 123638681
1-(1,1-Dioxo-1,4-thiazinan-4-yl)-2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-iodoamino]ethanone
CID 163940853
1-Morpholin-4-yl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylethanone
CID 14367449
1-(4-Methylsulfonylpiperazin-1-yl)-2-morpholin-4-ylethane-1,2-dione
CID 45587418
1-[4-(3-Cyclopentylsulfonylpropanoyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 45899500
1-[4-(2-Methylsulfonylpropanoyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 47039495
1-Morpholin-4-yl-2-thiomorpholin-4-ylethanone
CID 52141793

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethane-1,2-dione?
The IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethane-1,2-dione (CID 69453884) is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethane-1,2-dione.
What is the SMILES notation for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethane-1,2-dione?
The canonical SMILES for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethane-1,2-dione is O=C(C(=O)N1CCS(=O)(=O)CC1)N1CCOCC1.
What is the InChIKey of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethane-1,2-dione?
The InChIKey is HRCDECXSKZRMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5S/c13-9(11-1-5-17-6-2-11)10(14)12-3-7-18(15,16)8-4-12/h1-8H2.
What are the key properties of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethane-1,2-dione?
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethane-1,2-dione has a molecular weight of 276.31 g/mol, XLogP of -1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethane-1,2-dione is sourced from PubChem (CID 69453884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).