4-ethyl-6-(methylamino)-1,4-benzothiazin-3-one

C11H14N2OS — CID 115259339

IUPAC4-ethyl-6-(methylamino)-1,4-benzothiazin-3-one
SMILESCCN1C(=O)CSc2ccc(NC)cc21
InChIInChI=1S/C11H14N2OS/c1-3-13-9-6-8(12-2)4-5-10(9)15-7-11(13)14/h4-6,12H,3,7H2,1-2H3
InChIKeyLVWWEPHBJJWTMV-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.19
Rot. Bonds2

About 4-ethyl-6-(methylamino)-1,4-benzothiazin-3-one

4-ethyl-6-(methylamino)-1,4-benzothiazin-3-one (PubChem CID 115259339) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 4-ethyl-6-(methylamino)-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name4-ethyl-6-(methylamino)-1,4-benzothiazin-3-one
PubChem CID115259339
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name4-ethyl-6-(methylamino)-1,4-benzothiazin-3-one
SMILESCCN1C(=O)CSc2ccc(NC)cc21
InChIInChI=1S/C11H14N2OS/c1-3-13-9-6-8(12-2)4-5-10(9)15-7-11(13)14/h4-6,12H,3,7H2,1-2H3
InChIKeyLVWWEPHBJJWTMV-UHFFFAOYSA-N
XLogP2.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-6-(methylamino)-1,4-benzothiazin-3-one
CID 115195267
6-bromo-4-ethyl-1,4-benzothiazin-3-one
CID 84615722
4-octyl-6-(octylamino)-1,4-benzothiazin-3-one
CID 10949499
4-(2-hydroxypropanoyl)-6-(methylamino)-1,4-benzothiazin-3-one
CID 115140553
1-ethyl-5-(methylamino)-3H-indol-2-one
CID 82551072
N-(4-benzyl-3-oxo-1,4-benzothiazin-6-yl)formamide
CID 53213308
4-ethyl-3-oxo-N-(thiophen-2-ylmethyl)-1,4-benzothiazine-6-carboxamide
CID 4671133
4-ethyl-7-propanoyl-1,4-benzothiazin-3-one
CID 84615377
4-ethyl-6-(C-methyl-N-prop-2-ynoxycarbonimidoyl)-1,4-benzothiazin-3-one
CID 74328911
2-[(Z)-1-(4-ethyl-3-oxo-1,4-benzothiazin-6-yl)ethylideneamino]oxyacetic acid
CID 5362164
4-(methoxymethyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one
CID 115258410
6-(aminomethyl)-4-(sulfanylmethyl)-1,4-benzothiazin-3-one
CID 115227964

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(methylamino)-1,4-benzothiazin-3-one?
The IUPAC name of 4-ethyl-6-(methylamino)-1,4-benzothiazin-3-one (CID 115259339) is 4-ethyl-6-(methylamino)-1,4-benzothiazin-3-one.
What is the SMILES notation for 4-ethyl-6-(methylamino)-1,4-benzothiazin-3-one?
The canonical SMILES for 4-ethyl-6-(methylamino)-1,4-benzothiazin-3-one is CCN1C(=O)CSc2ccc(NC)cc21.
What is the InChIKey of 4-ethyl-6-(methylamino)-1,4-benzothiazin-3-one?
The InChIKey is LVWWEPHBJJWTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-3-13-9-6-8(12-2)4-5-10(9)15-7-11(13)14/h4-6,12H,3,7H2,1-2H3.
What are the key properties of 4-ethyl-6-(methylamino)-1,4-benzothiazin-3-one?
4-ethyl-6-(methylamino)-1,4-benzothiazin-3-one has a molecular weight of 222.31 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(methylamino)-1,4-benzothiazin-3-one is sourced from PubChem (CID 115259339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).