1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxyethanone

C10H11NO2S — CID 16769847

IUPAC1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxyethanone
SMILESO=C(CO)N1CCSc2ccccc21
InChIInChI=1S/C10H11NO2S/c12-7-10(13)11-5-6-14-9-4-2-1-3-8(9)11/h1-4,12H,5-7H2
InChIKeySCLGCFWIELTDTO-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.12
Rot. Bonds1

About 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxyethanone

1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxyethanone (PubChem CID 16769847) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxyethanone
PubChem CID16769847
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxyethanone
SMILESO=C(CO)N1CCSc2ccccc21
InChIInChI=1S/C10H11NO2S/c12-7-10(13)11-5-6-14-9-4-2-1-3-8(9)11/h1-4,12H,5-7H2
InChIKeySCLGCFWIELTDTO-UHFFFAOYSA-N
XLogP1.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,3-dihydro-1,4-benzothiazin-4-yl)-6-oxohexanoic acid
CID 43579785
2-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethoxy]acetic acid
CID 61328223
7-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)heptan-1-one
CID 61260595
2-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-methylamino]acetic acid
CID 43442529
3-(tert-butylamino)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one
CID 61260770
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-thiophen-3-ylethanone
CID 51155292
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62732356
2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 17472513
2-(2-bromophenyl)sulfanyl-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 36988349
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-ethylbutan-1-one
CID 110713052
2-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-ethylbutan-1-one
CID 79814596
1-(4-benzylpiperazin-1-yl)-4-(2,3-dihydro-1,4-benzothiazin-4-yl)butane-1,4-dione
CID 56560542

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxyethanone?
The IUPAC name of 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxyethanone (CID 16769847) is 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxyethanone is O=C(CO)N1CCSc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxyethanone?
The InChIKey is SCLGCFWIELTDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c12-7-10(13)11-5-6-14-9-4-2-1-3-8(9)11/h1-4,12H,5-7H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxyethanone?
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxyethanone has a molecular weight of 209.27 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxyethanone is sourced from PubChem (CID 16769847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).