(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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Related Compounds

3-Methoxy-10H-phenothiazine
CID 74491
3,7-Dimethoxy-10H-phenothiazine
CID 621196
7-Methoxy-1,4-benzothiazin-3(4H)-one
CID 403666
7-methoxy-4-methyl-2H-1,4-benzothiazin-3(4H)-one
CID 838871
N,N-dimethyl-3-(10H-phenothiazin-3-yloxy)propan-1-amine;hydrochloride
CID 45262886
7-methoxy-N,10-dimethylphenothiazin-3-amine
CID 70686558
N-cyclohexyl-N-methyl-4-[(3-oxo-4H-1,4-benzothiazin-7-yl)oxy]butanamide
CID 13756670
7-propoxy-4H-1,4-benzothiazin-3-one
CID 45257573
7-Ethoxy-4H-benzo[1,4]thiazin-3-one
CID 768468
2h-1,4-benzothiazin-3(4h)-one, 7-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, ethanedioate (1:1) (salt)
CID 24835411
2h-1,4-benzothiazin-3(4h)-one, 7-(2-hydroxy-3-((1-methylpropyl)amino)propoxy)-, ethanedioate(1:1) (salt)
CID 24835421
3-methoxy-10H-phenothiazine 5,5-dioxide
CID 1547835

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).