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

C11H15NO2S — CID 84624913

IUPAC(7-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol
SMILESCOc1ccc2c(c1)SC(CO)C(C)N2
InChIInChI=1S/C11H15NO2S/c1-7-11(6-13)15-10-5-8(14-2)3-4-9(10)12-7/h3-5,7,11-13H,6H2,1-2H3
InChIKeyXAEOHCGFJPBGTI-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.96
Rot. Bonds2

About (7-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol

(7-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol (PubChem CID 84624913) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is (7-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol.

Molecular Properties

Compound Name(7-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol
PubChem CID84624913
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name(7-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol
SMILESCOc1ccc2c(c1)SC(CO)C(C)N2
InChIInChI=1S/C11H15NO2S/c1-7-11(6-13)15-10-5-8(14-2)3-4-9(10)12-7/h3-5,7,11-13H,6H2,1-2H3
InChIKeyXAEOHCGFJPBGTI-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol?
The IUPAC name of (7-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol (CID 84624913) is (7-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol.
What is the SMILES notation for (7-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol?
The canonical SMILES for (7-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol is COc1ccc2c(c1)SC(CO)C(C)N2.
What is the InChIKey of (7-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol?
The InChIKey is XAEOHCGFJPBGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-7-11(6-13)15-10-5-8(14-2)3-4-9(10)12-7/h3-5,7,11-13H,6H2,1-2H3.
What are the key properties of (7-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol?
(7-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 (7-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol is sourced from PubChem (CID 84624913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).