5-fluoro-6-propan-2-yl-3,4-dihydro-1H-2λ4,1-benzothiazine 2-oxide

C11H14FNOS — CID 176644936

IUPAC5-fluoro-6-propan-2-yl-3,4-dihydro-1H-2λ4,1-benzothiazine 2-oxide
SMILESCC(C)c1ccc2c(c1F)CCS(=O)N2
InChIInChI=1S/C11H14FNOS/c1-7(2)8-3-4-10-9(11(8)12)5-6-15(14)13-10/h3-4,7,13H,5-6H2,1-2H3
InChIKeyNHZBTKHKEJKDEA-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.58
Rot. Bonds1

About 5-fluoro-6-propan-2-yl-3,4-dihydro-1H-2λ4,1-benzothiazine 2-oxide

5-fluoro-6-propan-2-yl-3,4-dihydro-1H-2λ4,1-benzothiazine 2-oxide (PubChem CID 176644936) has the molecular formula C11H14FNOS and a molecular weight of 227.30 g/mol. Its IUPAC name is 5-fluoro-6-propan-2-yl-3,4-dihydro-1H-2λ4,1-benzothiazine 2-oxide.

Molecular Properties

Compound Name5-fluoro-6-propan-2-yl-3,4-dihydro-1H-2λ4,1-benzothiazine 2-oxide
PubChem CID176644936
Molecular FormulaC11H14FNOS
Molecular Weight227.30 g/mol
Exact Mass227.08
IUPAC Name5-fluoro-6-propan-2-yl-3,4-dihydro-1H-2λ4,1-benzothiazine 2-oxide
SMILESCC(C)c1ccc2c(c1F)CCS(=O)N2
InChIInChI=1S/C11H14FNOS/c1-7(2)8-3-4-10-9(11(8)12)5-6-15(14)13-10/h3-4,7,13H,5-6H2,1-2H3
InChIKeyNHZBTKHKEJKDEA-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-propan-2-yl-3,4-dihydro-1H-2λ4,1-benzothiazine 2-oxide?
The IUPAC name of 5-fluoro-6-propan-2-yl-3,4-dihydro-1H-2λ4,1-benzothiazine 2-oxide (CID 176644936) is 5-fluoro-6-propan-2-yl-3,4-dihydro-1H-2λ4,1-benzothiazine 2-oxide.
What is the SMILES notation for 5-fluoro-6-propan-2-yl-3,4-dihydro-1H-2λ4,1-benzothiazine 2-oxide?
The canonical SMILES for 5-fluoro-6-propan-2-yl-3,4-dihydro-1H-2λ4,1-benzothiazine 2-oxide is CC(C)c1ccc2c(c1F)CCS(=O)N2.
What is the InChIKey of 5-fluoro-6-propan-2-yl-3,4-dihydro-1H-2λ4,1-benzothiazine 2-oxide?
The InChIKey is NHZBTKHKEJKDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNOS/c1-7(2)8-3-4-10-9(11(8)12)5-6-15(14)13-10/h3-4,7,13H,5-6H2,1-2H3.
What are the key properties of 5-fluoro-6-propan-2-yl-3,4-dihydro-1H-2λ4,1-benzothiazine 2-oxide?
5-fluoro-6-propan-2-yl-3,4-dihydro-1H-2λ4,1-benzothiazine 2-oxide has a molecular weight of 227.30 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-propan-2-yl-3,4-dihydro-1H-2λ4,1-benzothiazine 2-oxide is sourced from PubChem (CID 176644936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).