3-ethyl-7-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide

C10H12FNO2S — CID 84625806

IUPAC3-ethyl-7-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
SMILESCCC1CS(=O)(=O)c2cc(F)ccc2N1
InChIInChI=1S/C10H12FNO2S/c1-2-8-6-15(13,14)10-5-7(11)3-4-9(10)12-8/h3-5,8,12H,2,6H2,1H3
InChIKeyWMUQQZQQTPAMQP-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.80
Rot. Bonds1

About 3-ethyl-7-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide

3-ethyl-7-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide (PubChem CID 84625806) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-ethyl-7-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide.

Molecular Properties

Compound Name3-ethyl-7-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
PubChem CID84625806
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC Name3-ethyl-7-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
SMILESCCC1CS(=O)(=O)c2cc(F)ccc2N1
InChIInChI=1S/C10H12FNO2S/c1-2-8-6-15(13,14)10-5-7(11)3-4-9(10)12-8/h3-5,8,12H,2,6H2,1H3
InChIKeyWMUQQZQQTPAMQP-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-7-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
The IUPAC name of 3-ethyl-7-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide (CID 84625806) is 3-ethyl-7-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide.
What is the SMILES notation for 3-ethyl-7-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
The canonical SMILES for 3-ethyl-7-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide is CCC1CS(=O)(=O)c2cc(F)ccc2N1.
What is the InChIKey of 3-ethyl-7-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
The InChIKey is WMUQQZQQTPAMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2S/c1-2-8-6-15(13,14)10-5-7(11)3-4-9(10)12-8/h3-5,8,12H,2,6H2,1H3.
What are the key properties of 3-ethyl-7-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
3-ethyl-7-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-7-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide is sourced from PubChem (CID 84625806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).