6-[1-(dimethylamino)-2-hydroxyethyl]-4H-1,4-benzothiazin-3-one

C12H16N2O2S — CID 116857284

IUPAC6-[1-(dimethylamino)-2-hydroxyethyl]-4H-1,4-benzothiazin-3-one
SMILESCN(C)C(CO)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C12H16N2O2S/c1-14(2)10(6-15)8-3-4-11-9(5-8)13-12(16)7-17-11/h3-5,10,15H,6-7H2,1-2H3,(H,13,16)
InChIKeyYSPSJFYIDRVRCW-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.33
Rot. Bonds3

About 6-[1-(dimethylamino)-2-hydroxyethyl]-4H-1,4-benzothiazin-3-one

6-[1-(dimethylamino)-2-hydroxyethyl]-4H-1,4-benzothiazin-3-one (PubChem CID 116857284) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 6-[1-(dimethylamino)-2-hydroxyethyl]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-[1-(dimethylamino)-2-hydroxyethyl]-4H-1,4-benzothiazin-3-one
PubChem CID116857284
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name6-[1-(dimethylamino)-2-hydroxyethyl]-4H-1,4-benzothiazin-3-one
SMILESCN(C)C(CO)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C12H16N2O2S/c1-14(2)10(6-15)8-3-4-11-9(5-8)13-12(16)7-17-11/h3-5,10,15H,6-7H2,1-2H3,(H,13,16)
InChIKeyYSPSJFYIDRVRCW-UHFFFAOYSA-N
XLogP1.33
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-hydroxy-3-(methylamino)propan-2-yl]-4H-1,4-benzothiazin-3-one
CID 116835522
6-(1-aminopropyl)-4H-1,4-benzothiazin-3-one
CID 82494495
6-[amino(hydroxy)methyl]-4H-1,4-benzothiazin-3-one
CID 116939665
5-[1-(dimethylamino)-2-hydroxyethyl]-1,3-dihydroindol-2-one
CID 116857239
6-(1-bromo-2-oxopropyl)-4H-1,4-benzothiazin-3-one
CID 116859817
N-[2-(dimethylamino)-2-phenylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51153640
6-[amino(hydrazinyl)methyl]-4H-1,4-benzothiazin-3-one
CID 116947486
6-[methyl(methylaminomethyl)amino]-4H-1,4-benzothiazin-3-one
CID 115226717
6-(4-aminobutan-2-yl)-4H-1,4-benzothiazin-3-one
CID 82496859
6-[amino(sulfanyl)methyl]-4H-1,4-benzothiazin-3-one
CID 116939513
6-(1-amino-2-sulfanylethyl)-4H-1,4-benzothiazin-3-one
CID 116830535
6-[hydrazinylmethyl(methyl)amino]-4H-1,4-benzothiazin-3-one
CID 115260659

Frequently Asked Questions

What is the IUPAC name of 6-[1-(dimethylamino)-2-hydroxyethyl]-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-[1-(dimethylamino)-2-hydroxyethyl]-4H-1,4-benzothiazin-3-one (CID 116857284) is 6-[1-(dimethylamino)-2-hydroxyethyl]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-[1-(dimethylamino)-2-hydroxyethyl]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-[1-(dimethylamino)-2-hydroxyethyl]-4H-1,4-benzothiazin-3-one is CN(C)C(CO)c1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of 6-[1-(dimethylamino)-2-hydroxyethyl]-4H-1,4-benzothiazin-3-one?
The InChIKey is YSPSJFYIDRVRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-14(2)10(6-15)8-3-4-11-9(5-8)13-12(16)7-17-11/h3-5,10,15H,6-7H2,1-2H3,(H,13,16).
What are the key properties of 6-[1-(dimethylamino)-2-hydroxyethyl]-4H-1,4-benzothiazin-3-one?
6-[1-(dimethylamino)-2-hydroxyethyl]-4H-1,4-benzothiazin-3-one has a molecular weight of 252.34 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(dimethylamino)-2-hydroxyethyl]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 116857284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).