6-fluoro-4-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide

C9H10FNO2S — CID 102173723

IUPAC6-fluoro-4-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide
SMILESCC1CNS(=O)(=O)c2ccc(F)cc21
InChIInChI=1S/C9H10FNO2S/c1-6-5-11-14(12,13)9-3-2-7(10)4-8(6)9/h2-4,6,11H,5H2,1H3
InChIKeyZCNJZVUPINHTEC-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.22
Rot. Bonds

About 6-fluoro-4-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide

6-fluoro-4-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide (PubChem CID 102173723) has the molecular formula C9H10FNO2S and a molecular weight of 215.25 g/mol. Its IUPAC name is 6-fluoro-4-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide.

Molecular Properties

Compound Name6-fluoro-4-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide
PubChem CID102173723
Molecular FormulaC9H10FNO2S
Molecular Weight215.25 g/mol
Exact Mass215.04
IUPAC Name6-fluoro-4-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide
SMILESCC1CNS(=O)(=O)c2ccc(F)cc21
InChIInChI=1S/C9H10FNO2S/c1-6-5-11-14(12,13)9-3-2-7(10)4-8(6)9/h2-4,6,11H,5H2,1H3
InChIKeyZCNJZVUPINHTEC-UHFFFAOYSA-N
XLogP1.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide?
The IUPAC name of 6-fluoro-4-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide (CID 102173723) is 6-fluoro-4-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide.
What is the SMILES notation for 6-fluoro-4-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide?
The canonical SMILES for 6-fluoro-4-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide is CC1CNS(=O)(=O)c2ccc(F)cc21.
What is the InChIKey of 6-fluoro-4-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide?
The InChIKey is ZCNJZVUPINHTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2S/c1-6-5-11-14(12,13)9-3-2-7(10)4-8(6)9/h2-4,6,11H,5H2,1H3.
What are the key properties of 6-fluoro-4-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide?
6-fluoro-4-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide has a molecular weight of 215.25 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide is sourced from PubChem (CID 102173723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).