3-(hydroxyamino)thiophene-2-carboxylic acid

C5H5NO3S — CID 87561622

IUPAC3-(hydroxyamino)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1NO
InChIInChI=1S/C5H5NO3S/c7-5(8)4-3(6-9)1-2-10-4/h1-2,6,9H,(H,7,8)
InChIKeyDDHJZQPZYOYGIT-UHFFFAOYSA-N
MW159.17 g/mol
LogP1.25
Rot. Bonds2

About 3-(hydroxyamino)thiophene-2-carboxylic acid

3-(hydroxyamino)thiophene-2-carboxylic acid (PubChem CID 87561622) has the molecular formula C5H5NO3S and a molecular weight of 159.17 g/mol. Its IUPAC name is 3-(hydroxyamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(hydroxyamino)thiophene-2-carboxylic acid
PubChem CID87561622
Molecular FormulaC5H5NO3S
Molecular Weight159.17 g/mol
Exact Mass159.00
IUPAC Name3-(hydroxyamino)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1NO
InChIInChI=1S/C5H5NO3S/c7-5(8)4-3(6-9)1-2-10-4/h1-2,6,9H,(H,7,8)
InChIKeyDDHJZQPZYOYGIT-UHFFFAOYSA-N
XLogP1.25
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.17
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(hydroxyamino)thiophene-2-carboxylate
CID 90258603
3-(methanesulfinamido)thiophene-2-carboxylic acid
CID 130992646
3-(2-methylpropanoylamino)thiophene-2-carboxylic acid
CID 16773737
3-(propan-2-ylsulfinylamino)thiophene-2-carboxylic acid
CID 130863422
3-(hydroxysulfamoyl)thiophene-2-carboxylic acid
CID 115279685
3-boronothiophene-2-carboxylic acid
CID 45074560
ethane;3-methylthiophene-2-carboxylic acid
CID 142138544
3-(ethylsulfamoylamino)thiophene-2-carboxylic acid
CID 114805301
3-(methylcarbamoyl)thiophene-2-carboxylic acid
CID 129267233
3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 16771674
3-(3-methylsulfonylpropanoylamino)thiophene-2-carboxylic acid
CID 43358015
3-acetylthiophene-2-carboxylic acid
CID 818927

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxyamino)thiophene-2-carboxylic acid?
The IUPAC name of 3-(hydroxyamino)thiophene-2-carboxylic acid (CID 87561622) is 3-(hydroxyamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(hydroxyamino)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(hydroxyamino)thiophene-2-carboxylic acid is O=C(O)c1sccc1NO.
What is the InChIKey of 3-(hydroxyamino)thiophene-2-carboxylic acid?
The InChIKey is DDHJZQPZYOYGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3S/c7-5(8)4-3(6-9)1-2-10-4/h1-2,6,9H,(H,7,8).
What are the key properties of 3-(hydroxyamino)thiophene-2-carboxylic acid?
3-(hydroxyamino)thiophene-2-carboxylic acid has a molecular weight of 159.17 g/mol, XLogP of 1.25, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxyamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 87561622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).