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

C12H15N3O2S — CID 115151573

IUPAC4-(2-aminoacetyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one
SMILESCNc1ccc2c(c1)N(C(=O)CN)C(=O)C(C)S2
InChIInChI=1S/C12H15N3O2S/c1-7-12(17)15(11(16)6-13)9-5-8(14-2)3-4-10(9)18-7/h3-5,7,14H,6,13H2,1-2H3
InChIKeyTYPISGKDDBLJLT-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.04
Rot. Bonds2

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

4-(2-aminoacetyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one (PubChem CID 115151573) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-(2-aminoacetyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name4-(2-aminoacetyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one
PubChem CID115151573
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name4-(2-aminoacetyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one
SMILESCNc1ccc2c(c1)N(C(=O)CN)C(=O)C(C)S2
InChIInChI=1S/C12H15N3O2S/c1-7-12(17)15(11(16)6-13)9-5-8(14-2)3-4-10(9)18-7/h3-5,7,14H,6,13H2,1-2H3
InChIKeyTYPISGKDDBLJLT-UHFFFAOYSA-N
XLogP1.04
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoacetyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one?
The IUPAC name of 4-(2-aminoacetyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one (CID 115151573) is 4-(2-aminoacetyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one.
What is the SMILES notation for 4-(2-aminoacetyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one?
The canonical SMILES for 4-(2-aminoacetyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one is CNc1ccc2c(c1)N(C(=O)CN)C(=O)C(C)S2.
What is the InChIKey of 4-(2-aminoacetyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one?
The InChIKey is TYPISGKDDBLJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-7-12(17)15(11(16)6-13)9-5-8(14-2)3-4-10(9)18-7/h3-5,7,14H,6,13H2,1-2H3.
What are the key properties of 4-(2-aminoacetyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one?
4-(2-aminoacetyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one has a molecular weight of 265.34 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoacetyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one is sourced from PubChem (CID 115151573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).