2,4-difluoro-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline

C11H14F2N2O2S — CID 102882483

IUPAC2,4-difluoro-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline
SMILESCC1CS(=O)(=O)CCN1c1cc(F)cc(F)c1N
InChIInChI=1S/C11H14F2N2O2S/c1-7-6-18(16,17)3-2-15(7)10-5-8(12)4-9(13)11(10)14/h4-5,7H,2-3,6,14H2,1H3
InChIKeyZURIIKAOJCUKGM-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.17
Rot. Bonds1

About 2,4-difluoro-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline

2,4-difluoro-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline (PubChem CID 102882483) has the molecular formula C11H14F2N2O2S and a molecular weight of 276.31 g/mol. Its IUPAC name is 2,4-difluoro-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline.

Molecular Properties

Compound Name2,4-difluoro-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline
PubChem CID102882483
Molecular FormulaC11H14F2N2O2S
Molecular Weight276.31 g/mol
Exact Mass276.07
IUPAC Name2,4-difluoro-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline
SMILESCC1CS(=O)(=O)CCN1c1cc(F)cc(F)c1N
InChIInChI=1S/C11H14F2N2O2S/c1-7-6-18(16,17)3-2-15(7)10-5-8(12)4-9(13)11(10)14/h4-5,7H,2-3,6,14H2,1H3
InChIKeyZURIIKAOJCUKGM-UHFFFAOYSA-N
XLogP1.17
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline?
The IUPAC name of 2,4-difluoro-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline (CID 102882483) is 2,4-difluoro-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline.
What is the SMILES notation for 2,4-difluoro-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline?
The canonical SMILES for 2,4-difluoro-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline is CC1CS(=O)(=O)CCN1c1cc(F)cc(F)c1N.
What is the InChIKey of 2,4-difluoro-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline?
The InChIKey is ZURIIKAOJCUKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2S/c1-7-6-18(16,17)3-2-15(7)10-5-8(12)4-9(13)11(10)14/h4-5,7H,2-3,6,14H2,1H3.
What are the key properties of 2,4-difluoro-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline?
2,4-difluoro-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline has a molecular weight of 276.31 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline is sourced from PubChem (CID 102882483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).