2-(2-hydroxyethyl)-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-4-ol

C10H13NO4S — CID 118738583

IUPAC2-(2-hydroxyethyl)-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-4-ol
SMILESO=S1(=O)c2ccccc2C(O)CN1CCO
InChIInChI=1S/C10H13NO4S/c12-6-5-11-7-9(13)8-3-1-2-4-10(8)16(11,14)15/h1-4,9,12-13H,5-7H2
InChIKeyJXKGNMMMIUVTPS-UHFFFAOYSA-N
MW243.28 g/mol
LogP-0.28
Rot. Bonds2

About 2-(2-hydroxyethyl)-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-4-ol

2-(2-hydroxyethyl)-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-4-ol (PubChem CID 118738583) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-4-ol.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-4-ol
PubChem CID118738583
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name2-(2-hydroxyethyl)-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-4-ol
SMILESO=S1(=O)c2ccccc2C(O)CN1CCO
InChIInChI=1S/C10H13NO4S/c12-6-5-11-7-9(13)8-3-1-2-4-10(8)16(11,14)15/h1-4,9,12-13H,5-7H2
InChIKeyJXKGNMMMIUVTPS-UHFFFAOYSA-N
XLogP-0.28
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-4-ol?
The IUPAC name of 2-(2-hydroxyethyl)-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-4-ol (CID 118738583) is 2-(2-hydroxyethyl)-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-4-ol.
What is the SMILES notation for 2-(2-hydroxyethyl)-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-4-ol?
The canonical SMILES for 2-(2-hydroxyethyl)-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-4-ol is O=S1(=O)c2ccccc2C(O)CN1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-4-ol?
The InChIKey is JXKGNMMMIUVTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c12-6-5-11-7-9(13)8-3-1-2-4-10(8)16(11,14)15/h1-4,9,12-13H,5-7H2.
What are the key properties of 2-(2-hydroxyethyl)-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-4-ol?
2-(2-hydroxyethyl)-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-4-ol has a molecular weight of 243.28 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-1,1-dioxo-3,4-dihydro-1λ6,2-benzothiazin-4-ol is sourced from PubChem (CID 118738583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).