1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2,2-trifluoroethanone

C6H8F3NO3S — CID 63262345

IUPAC1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CCS(=O)(=O)CC1)C(F)(F)F
InChIInChI=1S/C6H8F3NO3S/c7-6(8,9)5(11)10-1-3-14(12,13)4-2-10/h1-4H2
InChIKeyRMCMAOMYYVYLQW-UHFFFAOYSA-N
MW231.19 g/mol
LogP-0.19
Rot. Bonds

About 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2,2-trifluoroethanone

1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2,2-trifluoroethanone (PubChem CID 63262345) has the molecular formula C6H8F3NO3S and a molecular weight of 231.19 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2,2-trifluoroethanone
PubChem CID63262345
Molecular FormulaC6H8F3NO3S
Molecular Weight231.19 g/mol
Exact Mass231.02
IUPAC Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CCS(=O)(=O)CC1)C(F)(F)F
InChIInChI=1S/C6H8F3NO3S/c7-6(8,9)5(11)10-1-3-14(12,13)4-2-10/h1-4H2
InChIKeyRMCMAOMYYVYLQW-UHFFFAOYSA-N
XLogP-0.19
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.19
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2,2-trifluoroethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2,2-trifluoroethanone (CID 63262345) is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2,2-trifluoroethanone is O=C(N1CCS(=O)(=O)CC1)C(F)(F)F.
What is the InChIKey of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2,2-trifluoroethanone?
The InChIKey is RMCMAOMYYVYLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO3S/c7-6(8,9)5(11)10-1-3-14(12,13)4-2-10/h1-4H2.
What are the key properties of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2,2-trifluoroethanone?
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2,2-trifluoroethanone has a molecular weight of 231.19 g/mol, XLogP of -0.19, 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)-2,2,2-trifluoroethanone is sourced from PubChem (CID 63262345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).