2-amino-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone

C10H12N2O2S — CID 170070574

IUPAC2-amino-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone
SMILESNCC(=O)N1CCS(=O)c2ccccc21
InChIInChI=1S/C10H12N2O2S/c11-7-10(13)12-5-6-15(14)9-4-2-1-3-8(9)12/h1-4H,5-7,11H2
InChIKeyRBVCWQSFYBRBDO-UHFFFAOYSA-N
MW224.29 g/mol
LogP0.10
Rot. Bonds1

About 2-amino-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone

2-amino-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone (PubChem CID 170070574) has the molecular formula C10H12N2O2S and a molecular weight of 224.29 g/mol. Its IUPAC name is 2-amino-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone
PubChem CID170070574
Molecular FormulaC10H12N2O2S
Molecular Weight224.29 g/mol
Exact Mass224.06
IUPAC Name2-amino-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone
SMILESNCC(=O)N1CCS(=O)c2ccccc21
InChIInChI=1S/C10H12N2O2S/c11-7-10(13)12-5-6-15(14)9-4-2-1-3-8(9)12/h1-4H,5-7,11H2
InChIKeyRBVCWQSFYBRBDO-UHFFFAOYSA-N
XLogP0.10
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenoxy)-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone
CID 110738197
(4-chlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone
CID 110738192
2-amino-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone;dihydrochloride
CID 119878127
2-amino-1-(4-chloro-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119326597
2-amino-1-[5-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 18321799
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
2-amino-1-(5,6-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone
CID 84627538
2-amino-1-(6-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 131036223
2-[1-(2-aminoacetyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573375
1-(2-aminoacetyl)-6-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 84627468
1-(2-aminoacetyl)-6-ethyl-5-methyl-2,3-dihydro-1,5-benzodiazepin-4-one
CID 84638608
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119310079

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone?
The IUPAC name of 2-amino-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone (CID 170070574) is 2-amino-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone?
The canonical SMILES for 2-amino-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone is NCC(=O)N1CCS(=O)c2ccccc21.
What is the InChIKey of 2-amino-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone?
The InChIKey is RBVCWQSFYBRBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c11-7-10(13)12-5-6-15(14)9-4-2-1-3-8(9)12/h1-4H,5-7,11H2.
What are the key properties of 2-amino-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone?
2-amino-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone has a molecular weight of 224.29 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)ethanone is sourced from PubChem (CID 170070574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).