1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-methylamino]ethanone

C13H23N3O6S2 — CID 123638681

IUPAC1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-methylamino]ethanone
SMILESCN(CC(=O)N1CCS(=O)(=O)CC1)CC(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H23N3O6S2/c1-14(10-12(17)15-2-6-23(19,20)7-3-15)11-13(18)16-4-8-24(21,22)9-5-16/h2-11H2,1H3
InChIKeyLCAOQMZBDCVJNR-UHFFFAOYSA-N
MW381.48 g/mol
LogP-2.57
Rot. Bonds4

About 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-methylamino]ethanone

1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-methylamino]ethanone (PubChem CID 123638681) has the molecular formula C13H23N3O6S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-methylamino]ethanone.

Molecular Properties

Compound Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-methylamino]ethanone
PubChem CID123638681
Molecular FormulaC13H23N3O6S2
Molecular Weight381.48 g/mol
Exact Mass381.10
IUPAC Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-methylamino]ethanone
SMILESCN(CC(=O)N1CCS(=O)(=O)CC1)CC(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H23N3O6S2/c1-14(10-12(17)15-2-6-23(19,20)7-3-15)11-13(18)16-4-8-24(21,22)9-5-16/h2-11H2,1H3
InChIKeyLCAOQMZBDCVJNR-UHFFFAOYSA-N
XLogP-2.57
TPSA112.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 5-2.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-methylamino]ethanone with MolForge

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Related Compounds

3,6-Bis(ethylsulfonyl)-1,4-dimethylpiperazine-2,5-dione
CID 322191
2-(1,1-Dioxo-1,4-thiazinan-4-yl)-1-piperazin-1-ylethanone
CID 43581521
4-Methyl-1-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-2-one
CID 57957706
1-[4-(2-Propan-2-ylsulfonylethyl)piperazin-1-yl]ethanone
CID 57992886
1-(4-Methylpiperazin-1-yl)-2-methylsulfonylethanone
CID 61340292
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-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 66546919
1-(4-Ethylpiperazin-1-yl)-2-methylsulfonylethanone
CID 68373198
1-(1,1-Dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethane-1,2-dione
CID 69453884
1-[4-(2-Methylsulfonylethyl)piperazin-1-yl]ethanone
CID 70946597
1,2-Dithiomorpholin-4-ylethanone
CID 90897876
Bis[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-methanidylazanium
CID 123952133

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-methylamino]ethanone?
The IUPAC name of 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) is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-methylamino]ethanone.
What is the SMILES notation for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-methylamino]ethanone?
The canonical SMILES for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-methylamino]ethanone is CN(CC(=O)N1CCS(=O)(=O)CC1)CC(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-methylamino]ethanone?
The InChIKey is LCAOQMZBDCVJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O6S2/c1-14(10-12(17)15-2-6-23(19,20)7-3-15)11-13(18)16-4-8-24(21,22)9-5-16/h2-11H2,1H3.
What are the key properties of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-methylamino]ethanone?
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-methylamino]ethanone has a molecular weight of 381.48 g/mol, XLogP of -2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-methylamino]ethanone is sourced from PubChem (CID 123638681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).