4-(methoxymethyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one

C12H16N2O2S — CID 115258410

IUPAC4-(methoxymethyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one
SMILESCNc1ccc2c(c1)N(COC)C(=O)C(C)S2
InChIInChI=1S/C12H16N2O2S/c1-8-12(15)14(7-16-3)10-6-9(13-2)4-5-11(10)17-8/h4-6,8,13H,7H2,1-3H3
InChIKeyNAMAXWODUHJNOB-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.16
Rot. Bonds3

About 4-(methoxymethyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one

4-(methoxymethyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one (PubChem CID 115258410) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name4-(methoxymethyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one
PubChem CID115258410
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name4-(methoxymethyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one
SMILESCNc1ccc2c(c1)N(COC)C(=O)C(C)S2
InChIInChI=1S/C12H16N2O2S/c1-8-12(15)14(7-16-3)10-6-9(13-2)4-5-11(10)17-8/h4-6,8,13H,7H2,1-3H3
InChIKeyNAMAXWODUHJNOB-UHFFFAOYSA-N
XLogP2.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one?
The IUPAC name of 4-(methoxymethyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one (CID 115258410) is 4-(methoxymethyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one.
What is the SMILES notation for 4-(methoxymethyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one?
The canonical SMILES for 4-(methoxymethyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one is CNc1ccc2c(c1)N(COC)C(=O)C(C)S2.
What is the InChIKey of 4-(methoxymethyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one?
The InChIKey is NAMAXWODUHJNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-8-12(15)14(7-16-3)10-6-9(13-2)4-5-11(10)17-8/h4-6,8,13H,7H2,1-3H3.
What are the key properties of 4-(methoxymethyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one?
4-(methoxymethyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one has a molecular weight of 252.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one is sourced from PubChem (CID 115258410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).