1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone

C16H22N2O2S — CID 103898182

IUPAC1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(CC(=O)N2CCSc3ccccc32)CC1O
InChIInChI=1S/C16H22N2O2S/c1-12-6-7-17(10-14(12)19)11-16(20)18-8-9-21-15-5-3-2-4-13(15)18/h2-5,12,14,19H,6-11H2,1H3
InChIKeyPRTKJXKLBMNFBT-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.83
Rot. Bonds2

About 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone

1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone (PubChem CID 103898182) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
PubChem CID103898182
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(CC(=O)N2CCSc3ccccc32)CC1O
InChIInChI=1S/C16H22N2O2S/c1-12-6-7-17(10-14(12)19)11-16(20)18-8-9-21-15-5-3-2-4-13(15)18/h2-5,12,14,19H,6-11H2,1H3
InChIKeyPRTKJXKLBMNFBT-UHFFFAOYSA-N
XLogP1.83
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 104975373
2-[2-(aminomethyl)morpholin-4-yl]-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 114395295
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxyethanone
CID 16769847
2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 17472513
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 51104449
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 110167306
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62732356
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 125003317
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]butane-1,4-dione
CID 56561906
2-[2-(aminomethyl)piperidin-1-yl]-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone;hydrochloride
CID 119916227
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]ethanone
CID 109398068
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-[(2R,5S)-2,5-dimethylmorpholin-4-yl]butane-1,4-dione
CID 95345074

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone (CID 103898182) is 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone is CC1CCN(CC(=O)N2CCSc3ccccc32)CC1O.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone?
The InChIKey is PRTKJXKLBMNFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-12-6-7-17(10-14(12)19)11-16(20)18-8-9-21-15-5-3-2-4-13(15)18/h2-5,12,14,19H,6-11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone?
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone has a molecular weight of 306.43 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 103898182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).