3-ethyl-5-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide

C10H12FNO2S — CID 84625811

IUPAC3-ethyl-5-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
SMILESCCC1CS(=O)(=O)c2cccc(F)c2N1
InChIInChI=1S/C10H12FNO2S/c1-2-7-6-15(13,14)9-5-3-4-8(11)10(9)12-7/h3-5,7,12H,2,6H2,1H3
InChIKeyAIXADDAVLIJJJQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.80
Rot. Bonds1

About 3-ethyl-5-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide

3-ethyl-5-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide (PubChem CID 84625811) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-ethyl-5-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide.

Molecular Properties

Compound Name3-ethyl-5-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
PubChem CID84625811
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC Name3-ethyl-5-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
SMILESCCC1CS(=O)(=O)c2cccc(F)c2N1
InChIInChI=1S/C10H12FNO2S/c1-2-7-6-15(13,14)9-5-3-4-8(11)10(9)12-7/h3-5,7,12H,2,6H2,1H3
InChIKeyAIXADDAVLIJJJQ-UHFFFAOYSA-N
XLogP1.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
The IUPAC name of 3-ethyl-5-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide (CID 84625811) is 3-ethyl-5-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide.
What is the SMILES notation for 3-ethyl-5-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
The canonical SMILES for 3-ethyl-5-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide is CCC1CS(=O)(=O)c2cccc(F)c2N1.
What is the InChIKey of 3-ethyl-5-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
The InChIKey is AIXADDAVLIJJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2S/c1-2-7-6-15(13,14)9-5-3-4-8(11)10(9)12-7/h3-5,7,12H,2,6H2,1H3.
What are the key properties of 3-ethyl-5-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
3-ethyl-5-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide has a molecular weight of 229.28 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide is sourced from PubChem (CID 84625811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).