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

C12H14N2O3S — CID 115140553

IUPAC4-(2-hydroxypropanoyl)-6-(methylamino)-1,4-benzothiazin-3-one
SMILESCNc1ccc2c(c1)N(C(=O)C(C)O)C(=O)CS2
InChIInChI=1S/C12H14N2O3S/c1-7(15)12(17)14-9-5-8(13-2)3-4-10(9)18-6-11(14)16/h3-5,7,13,15H,6H2,1-2H3
InChIKeyCNPIPPSELQBUGS-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.07
Rot. Bonds2

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

4-(2-hydroxypropanoyl)-6-(methylamino)-1,4-benzothiazin-3-one (PubChem CID 115140553) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-(2-hydroxypropanoyl)-6-(methylamino)-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name4-(2-hydroxypropanoyl)-6-(methylamino)-1,4-benzothiazin-3-one
PubChem CID115140553
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name4-(2-hydroxypropanoyl)-6-(methylamino)-1,4-benzothiazin-3-one
SMILESCNc1ccc2c(c1)N(C(=O)C(C)O)C(=O)CS2
InChIInChI=1S/C12H14N2O3S/c1-7(15)12(17)14-9-5-8(13-2)3-4-10(9)18-6-11(14)16/h3-5,7,13,15H,6H2,1-2H3
InChIKeyCNPIPPSELQBUGS-UHFFFAOYSA-N
XLogP1.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-6-(methylamino)-1,4-benzothiazin-3-one
CID 115259339
4-(2-aminoethyl)-6-(methylamino)-1,4-benzothiazin-3-one
CID 115195267
2-(6-amino-3-oxo-1,4-benzothiazin-4-yl)-2-oxoacetaldehyde
CID 115165953
6-amino-4-(2-sulfanylacetyl)-1,4-benzothiazin-3-one
CID 115166954
4-(1-carboxyethyl)-3-oxo-1,4-benzothiazine-6-carboxylic acid
CID 84616168
6-(1-hydroxyethyl)-4-(3-oxobutyl)-1,4-benzothiazin-3-one
CID 84614731
4-octyl-6-(octylamino)-1,4-benzothiazin-3-one
CID 10949499
6-(methylamino)-3-oxo-1,4-benzoxazine-4-carbothioic S-acid
CID 115169850
N-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-2,3-dihydroindole-1-carboxamide
CID 3235768
1-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzothiazin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 92667887
4-methyl-3-oxo-1,4-benzothiazine-6-carboxylate
CID 4116383
methyl 6-(methylamino)-3-oxo-1,4-benzoxazine-4-carboxylate
CID 115190502

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropanoyl)-6-(methylamino)-1,4-benzothiazin-3-one?
The IUPAC name of 4-(2-hydroxypropanoyl)-6-(methylamino)-1,4-benzothiazin-3-one (CID 115140553) is 4-(2-hydroxypropanoyl)-6-(methylamino)-1,4-benzothiazin-3-one.
What is the SMILES notation for 4-(2-hydroxypropanoyl)-6-(methylamino)-1,4-benzothiazin-3-one?
The canonical SMILES for 4-(2-hydroxypropanoyl)-6-(methylamino)-1,4-benzothiazin-3-one is CNc1ccc2c(c1)N(C(=O)C(C)O)C(=O)CS2.
What is the InChIKey of 4-(2-hydroxypropanoyl)-6-(methylamino)-1,4-benzothiazin-3-one?
The InChIKey is CNPIPPSELQBUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-7(15)12(17)14-9-5-8(13-2)3-4-10(9)18-6-11(14)16/h3-5,7,13,15H,6H2,1-2H3.
What are the key properties of 4-(2-hydroxypropanoyl)-6-(methylamino)-1,4-benzothiazin-3-one?
4-(2-hydroxypropanoyl)-6-(methylamino)-1,4-benzothiazin-3-one has a molecular weight of 266.32 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropanoyl)-6-(methylamino)-1,4-benzothiazin-3-one is sourced from PubChem (CID 115140553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).