2-(4-methoxy-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-2-yl)ethanol

C11H15NO4S — CID 118738585

IUPAC2-(4-methoxy-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-2-yl)ethanol
SMILESCOC1CN(CCO)S(=O)(=O)c2ccccc21
InChIInChI=1S/C11H15NO4S/c1-16-10-8-12(6-7-13)17(14,15)11-5-3-2-4-9(10)11/h2-5,10,13H,6-8H2,1H3
InChIKeyFONIBLSHTNENTL-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.37
Rot. Bonds3

About 2-(4-methoxy-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-2-yl)ethanol

2-(4-methoxy-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-2-yl)ethanol (PubChem CID 118738585) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(4-methoxy-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-methoxy-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-2-yl)ethanol
PubChem CID118738585
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name2-(4-methoxy-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-2-yl)ethanol
SMILESCOC1CN(CCO)S(=O)(=O)c2ccccc21
InChIInChI=1S/C11H15NO4S/c1-16-10-8-12(6-7-13)17(14,15)11-5-3-2-4-9(10)11/h2-5,10,13H,6-8H2,1H3
InChIKeyFONIBLSHTNENTL-UHFFFAOYSA-N
XLogP0.37
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-2-yl)ethanol?
The IUPAC name of 2-(4-methoxy-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-2-yl)ethanol (CID 118738585) is 2-(4-methoxy-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-2-yl)ethanol.
What is the SMILES notation for 2-(4-methoxy-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-2-yl)ethanol?
The canonical SMILES for 2-(4-methoxy-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-2-yl)ethanol is COC1CN(CCO)S(=O)(=O)c2ccccc21.
What is the InChIKey of 2-(4-methoxy-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-2-yl)ethanol?
The InChIKey is FONIBLSHTNENTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-16-10-8-12(6-7-13)17(14,15)11-5-3-2-4-9(10)11/h2-5,10,13H,6-8H2,1H3.
What are the key properties of 2-(4-methoxy-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-2-yl)ethanol?
2-(4-methoxy-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-2-yl)ethanol has a molecular weight of 257.31 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-2-yl)ethanol is sourced from PubChem (CID 118738585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).