2-(2-aminoanilino)-2-oxoethanesulfinic acid

C8H10N2O3S — CID 175416485

IUPAC2-(2-aminoanilino)-2-oxoethanesulfinic acid
SMILESNc1ccccc1NC(=O)CS(=O)O
InChIInChI=1S/C8H10N2O3S/c9-6-3-1-2-4-7(6)10-8(11)5-14(12)13/h1-4H,5,9H2,(H,10,11)(H,12,13)
InChIKeyRUVXLLUDPALGBX-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.43
Rot. Bonds3

About 2-(2-aminoanilino)-2-oxoethanesulfinic acid

2-(2-aminoanilino)-2-oxoethanesulfinic acid (PubChem CID 175416485) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-(2-aminoanilino)-2-oxoethanesulfinic acid.

Molecular Properties

Compound Name2-(2-aminoanilino)-2-oxoethanesulfinic acid
PubChem CID175416485
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name2-(2-aminoanilino)-2-oxoethanesulfinic acid
SMILESNc1ccccc1NC(=O)CS(=O)O
InChIInChI=1S/C8H10N2O3S/c9-6-3-1-2-4-7(6)10-8(11)5-14(12)13/h1-4H,5,9H2,(H,10,11)(H,12,13)
InChIKeyRUVXLLUDPALGBX-UHFFFAOYSA-N
XLogP0.43
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-2-cyclopentylsulfinylacetamide
CID 63115483
2-[[2-(2-aminoanilino)-2-oxoethyl]amino]-N-(2-aminophenyl)acetamide
CID 102158017
N-(2-aminophenyl)-2-bromoacetamide
CID 89401895
N-(2-aminophenyl)-3-(4-methylphenyl)sulfinylpropanamide
CID 61302398
N-(2-aminophenyl)-3-thiophen-2-ylsulfinylpropanamide
CID 61302260
N-(2-aminophenyl)-3,3-diphenylpropanamide
CID 28866940
N-(2-aminophenyl)-4-ethylsulfinylbutanamide
CID 61303639
N-(2-aminophenyl)-7-oxoheptanamide
CID 143955349
N-(2-aminophenyl)-2-(3-methylcyclohexyl)sulfinylacetamide
CID 62720473
N-(2-aminophenyl)-1-phosphanylformamide;ethane
CID 90955856
N-(2-aminophenyl)-7-oxo-7-phenylheptanamide
CID 155558642
N-(2-aminophenyl)pent-4-ynamide
CID 102315557

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoanilino)-2-oxoethanesulfinic acid?
The IUPAC name of 2-(2-aminoanilino)-2-oxoethanesulfinic acid (CID 175416485) is 2-(2-aminoanilino)-2-oxoethanesulfinic acid.
What is the SMILES notation for 2-(2-aminoanilino)-2-oxoethanesulfinic acid?
The canonical SMILES for 2-(2-aminoanilino)-2-oxoethanesulfinic acid is Nc1ccccc1NC(=O)CS(=O)O.
What is the InChIKey of 2-(2-aminoanilino)-2-oxoethanesulfinic acid?
The InChIKey is RUVXLLUDPALGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c9-6-3-1-2-4-7(6)10-8(11)5-14(12)13/h1-4H,5,9H2,(H,10,11)(H,12,13).
What are the key properties of 2-(2-aminoanilino)-2-oxoethanesulfinic acid?
2-(2-aminoanilino)-2-oxoethanesulfinic acid has a molecular weight of 214.25 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoanilino)-2-oxoethanesulfinic acid is sourced from PubChem (CID 175416485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).