7-methoxy-4-methyl-1,4-benzothiazin-3-one

C10H11NO2S — CID 838871

IUPAC7-methoxy-4-methyl-1,4-benzothiazin-3-one
SMILESCOc1ccc2c(c1)SCC(=O)N2C
InChIInChI=1S/C10H11NO2S/c1-11-8-4-3-7(13-2)5-9(8)14-6-10(11)12/h3-5H,6H2,1-2H3
InChIKeyWOKMMBAQSMHGQU-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.76
Rot. Bonds1

About 7-methoxy-4-methyl-1,4-benzothiazin-3-one

7-methoxy-4-methyl-1,4-benzothiazin-3-one (PubChem CID 838871) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 7-methoxy-4-methyl-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name7-methoxy-4-methyl-1,4-benzothiazin-3-one
PubChem CID838871
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name7-methoxy-4-methyl-1,4-benzothiazin-3-one
SMILESCOc1ccc2c(c1)SCC(=O)N2C
InChIInChI=1S/C10H11NO2S/c1-11-8-4-3-7(13-2)5-9(8)14-6-10(11)12/h3-5H,6H2,1-2H3
InChIKeyWOKMMBAQSMHGQU-UHFFFAOYSA-N
XLogP1.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
2-[(3-Methoxyphenyl)thio]-1-(4-phenylpiperazino)ethan-1-one
CID 2810018
7-methoxy-10-methyl-10H-phenothiazin-3-amine
CID 70686557
10-(4-Methoxyphenyl)-10H-phenothiazine
CID 21680087
4-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 16018968
7-(cyclohexylmethoxy)-4H-1,4-benzothiazin-3-one
CID 168276947
7-methoxy-N,N,10-trimethylphenothiazin-3-amine
CID 21254490
N-(4-ethoxyphenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 8084846
2-(2-Amino-phenylsulfanyl)-1-[4-(4-methoxy-phenyl)-piperazin-1-yl]-ethanone
CID 653110
1-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-(phenylsulfanyl)ethanone
CID 938245

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-methyl-1,4-benzothiazin-3-one?
The IUPAC name of 7-methoxy-4-methyl-1,4-benzothiazin-3-one (CID 838871) is 7-methoxy-4-methyl-1,4-benzothiazin-3-one.
What is the SMILES notation for 7-methoxy-4-methyl-1,4-benzothiazin-3-one?
The canonical SMILES for 7-methoxy-4-methyl-1,4-benzothiazin-3-one is COc1ccc2c(c1)SCC(=O)N2C.
What is the InChIKey of 7-methoxy-4-methyl-1,4-benzothiazin-3-one?
The InChIKey is WOKMMBAQSMHGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-11-8-4-3-7(13-2)5-9(8)14-6-10(11)12/h3-5H,6H2,1-2H3.
What are the key properties of 7-methoxy-4-methyl-1,4-benzothiazin-3-one?
7-methoxy-4-methyl-1,4-benzothiazin-3-one has a molecular weight of 209.27 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-methyl-1,4-benzothiazin-3-one is sourced from PubChem (CID 838871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).