(7-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)methanol

C11H15NO4S — CID 84636572

IUPAC(7-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)methanol
SMILESCOc1ccc2c(c1)S(=O)(=O)C(CO)C(C)N2
InChIInChI=1S/C11H15NO4S/c1-7-11(6-13)17(14,15)10-5-8(16-2)3-4-9(10)12-7/h3-5,7,11-13H,6H2,1-2H3
InChIKeyMYVCQIMZHUEADY-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.64
Rot. Bonds2

About (7-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)methanol

(7-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)methanol (PubChem CID 84636572) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is (7-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)methanol.

Molecular Properties

Compound Name(7-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)methanol
PubChem CID84636572
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name(7-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)methanol
SMILESCOc1ccc2c(c1)S(=O)(=O)C(CO)C(C)N2
InChIInChI=1S/C11H15NO4S/c1-7-11(6-13)17(14,15)10-5-8(16-2)3-4-9(10)12-7/h3-5,7,11-13H,6H2,1-2H3
InChIKeyMYVCQIMZHUEADY-UHFFFAOYSA-N
XLogP0.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid
CID 84641583
6-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid
CID 84641595
(7-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol
CID 84624913
methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)acetate
CID 21449392
(3R)-3-(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-quinoxalin-2-one
CID 166462052
(6-methoxy-3-methyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanol
CID 84624949
(2S,3S)-5-methoxy-2,3-dimethyl-2,3-dihydro-1H-indole
CID 71486083
(2S)-2-amino-3-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-ol
CID 167214633
5-methoxy-2-methyl-2,3-dihydro-1H-benzimidazole
CID 143474953
2-ethyl-5-methoxy-N-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 64661442
[(2R)-7-methoxy-1,2,3,4-tetrahydroquinolin-2-yl]methanol
CID 130625960
7-methoxy-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide
CID 84630049

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)methanol?
The IUPAC name of (7-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)methanol (CID 84636572) is (7-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)methanol.
What is the SMILES notation for (7-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)methanol?
The canonical SMILES for (7-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)methanol is COc1ccc2c(c1)S(=O)(=O)C(CO)C(C)N2.
What is the InChIKey of (7-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)methanol?
The InChIKey is MYVCQIMZHUEADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-7-11(6-13)17(14,15)10-5-8(16-2)3-4-9(10)12-7/h3-5,7,11-13H,6H2,1-2H3.
What are the key properties of (7-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)methanol?
(7-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)methanol has a molecular weight of 257.31 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-3-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)methanol is sourced from PubChem (CID 84636572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).