2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]ethanol

C9H11N3O4S — CID 71044266

IUPAC2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]ethanol
SMILESNC1=NS(=O)(=O)Nc2cccc(OCCO)c21
InChIInChI=1S/C9H11N3O4S/c10-9-8-6(11-17(14,15)12-9)2-1-3-7(8)16-5-4-13/h1-3,11,13H,4-5H2,(H2,10,12)
InChIKeyHONJILIVEKBQIY-UHFFFAOYSA-N
MW257.27 g/mol
LogP-0.57
Rot. Bonds3

About 2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]ethanol

2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]ethanol (PubChem CID 71044266) has the molecular formula C9H11N3O4S and a molecular weight of 257.27 g/mol. Its IUPAC name is 2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]ethanol.

Molecular Properties

Compound Name2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]ethanol
PubChem CID71044266
Molecular FormulaC9H11N3O4S
Molecular Weight257.27 g/mol
Exact Mass257.05
IUPAC Name2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]ethanol
SMILESNC1=NS(=O)(=O)Nc2cccc(OCCO)c21
InChIInChI=1S/C9H11N3O4S/c10-9-8-6(11-17(14,15)12-9)2-1-3-7(8)16-5-4-13/h1-3,11,13H,4-5H2,(H2,10,12)
InChIKeyHONJILIVEKBQIY-UHFFFAOYSA-N
XLogP-0.57
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]ethanol with MolForge

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Launch Full Analysis

Related Compounds

5-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-ethylpentan-1-ol
CID 67414008
5-(4-methylsulfinylbutoxy)-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-4-amine
CID 66747198
5-[2-methyl-2-(methylamino)propoxy]-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-4-amine
CID 71815910
1-[(2R)-2-[2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]ethyl]pyrrolidin-1-yl]ethanone
CID 129288165
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]carbamate
CID 86730125
tert-butyl N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]carbamate
CID 90372528
N-[3-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethylpropyl]propanamide
CID 67438662
2,2-dioxo-5-pentan-2-yloxy-1H-2λ6,1,3-benzothiadiazin-4-amine
CID 89431478
1-[(3R)-3-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxymethyl]diazinan-1-yl]-2-hydroxyethanone
CID 129100538
1-[2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxymethyl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 66747082
[2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-cyclobutylmethanone
CID 123232040
disodium;1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2,2-dimethylheptan-3-one;5-(2,2-dimethylpropoxy)-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-4-amine;hydride
CID 161325739

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]ethanol?
The IUPAC name of 2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]ethanol (CID 71044266) is 2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]ethanol.
What is the SMILES notation for 2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]ethanol?
The canonical SMILES for 2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]ethanol is NC1=NS(=O)(=O)Nc2cccc(OCCO)c21.
What is the InChIKey of 2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]ethanol?
The InChIKey is HONJILIVEKBQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4S/c10-9-8-6(11-17(14,15)12-9)2-1-3-7(8)16-5-4-13/h1-3,11,13H,4-5H2,(H2,10,12).
What are the key properties of 2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]ethanol?
2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]ethanol has a molecular weight of 257.27 g/mol, XLogP of -0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]ethanol is sourced from PubChem (CID 71044266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).