7-(1-hydroxyethyl)-4H-1,4-benzothiazin-3-one

C10H11NO2S — CID 84614793

IUPAC7-(1-hydroxyethyl)-4H-1,4-benzothiazin-3-one
SMILESCC(O)c1ccc2c(c1)SCC(=O)N2
InChIInChI=1S/C10H11NO2S/c1-6(12)7-2-3-8-9(4-7)14-5-10(13)11-8/h2-4,6,12H,5H2,1H3,(H,11,13)
InChIKeyFTESINZUEKCGMR-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.78
Rot. Bonds1

About 7-(1-hydroxyethyl)-4H-1,4-benzothiazin-3-one

7-(1-hydroxyethyl)-4H-1,4-benzothiazin-3-one (PubChem CID 84614793) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 7-(1-hydroxyethyl)-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name7-(1-hydroxyethyl)-4H-1,4-benzothiazin-3-one
PubChem CID84614793
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name7-(1-hydroxyethyl)-4H-1,4-benzothiazin-3-one
SMILESCC(O)c1ccc2c(c1)SCC(=O)N2
InChIInChI=1S/C10H11NO2S/c1-6(12)7-2-3-8-9(4-7)14-5-10(13)11-8/h2-4,6,12H,5H2,1H3,(H,11,13)
InChIKeyFTESINZUEKCGMR-UHFFFAOYSA-N
XLogP1.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(1-hydroxyethyl)-4H-1,4-benzothiazin-3-one?
The IUPAC name of 7-(1-hydroxyethyl)-4H-1,4-benzothiazin-3-one (CID 84614793) is 7-(1-hydroxyethyl)-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 7-(1-hydroxyethyl)-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 7-(1-hydroxyethyl)-4H-1,4-benzothiazin-3-one is CC(O)c1ccc2c(c1)SCC(=O)N2.
What is the InChIKey of 7-(1-hydroxyethyl)-4H-1,4-benzothiazin-3-one?
The InChIKey is FTESINZUEKCGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-6(12)7-2-3-8-9(4-7)14-5-10(13)11-8/h2-4,6,12H,5H2,1H3,(H,11,13).
What are the key properties of 7-(1-hydroxyethyl)-4H-1,4-benzothiazin-3-one?
7-(1-hydroxyethyl)-4H-1,4-benzothiazin-3-one has a molecular weight of 209.27 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-hydroxyethyl)-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 84614793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).