1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone

C6H11NO3S — CID 15939312

IUPAC1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
SMILESCC(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C6H11NO3S/c1-6(8)7-2-4-11(9,10)5-3-7/h2-5H2,1H3
InChIKeyZIXYYCBQOVEADB-UHFFFAOYSA-N
MW177.22 g/mol
LogP-0.74
Rot. Bonds

About 1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone

1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone (PubChem CID 15939312) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone.

Molecular Properties

Compound Name1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
PubChem CID15939312
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC Name1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
SMILESCC(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C6H11NO3S/c1-6(8)7-2-4-11(9,10)5-3-7/h2-5H2,1H3
InChIKeyZIXYYCBQOVEADB-UHFFFAOYSA-N
XLogP-0.74
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone (CID 15939312) is 1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone.
What is the SMILES notation for 1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The canonical SMILES for 1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone is CC(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of 1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The InChIKey is ZIXYYCBQOVEADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3S/c1-6(8)7-2-4-11(9,10)5-3-7/h2-5H2,1H3.
What are the key properties of 1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone has a molecular weight of 177.22 g/mol, XLogP of -0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone is sourced from PubChem (CID 15939312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).