(6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol

C11H15NO2S — CID 84624949

IUPAC(6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol
SMILESCOc1ccc2c(c1)NC(C)C(CO)S2
InChIInChI=1S/C11H15NO2S/c1-7-11(6-13)15-10-4-3-8(14-2)5-9(10)12-7/h3-5,7,11-13H,6H2,1-2H3
InChIKeyVJAORHJNHXYSJQ-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.96
Rot. Bonds2

About (6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol

(6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol (PubChem CID 84624949) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is (6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol.

Molecular Properties

Compound Name(6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol
PubChem CID84624949
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name(6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol
SMILESCOc1ccc2c(c1)NC(C)C(CO)S2
InChIInChI=1S/C11H15NO2S/c1-7-11(6-13)15-10-4-3-8(14-2)5-9(10)12-7/h3-5,7,11-13H,6H2,1-2H3
InChIKeyVJAORHJNHXYSJQ-UHFFFAOYSA-N
XLogP1.96
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol?
The IUPAC name of (6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol (CID 84624949) is (6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol.
What is the SMILES notation for (6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol?
The canonical SMILES for (6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol is COc1ccc2c(c1)NC(C)C(CO)S2.
What is the InChIKey of (6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol?
The InChIKey is VJAORHJNHXYSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-7-11(6-13)15-10-4-3-8(14-2)5-9(10)12-7/h3-5,7,11-13H,6H2,1-2H3.
What are the key properties of (6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol?
(6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol has a molecular weight of 225.31 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol is sourced from PubChem (CID 84624949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).