5-[(2-hydrazinyl-2-oxoethyl)sulfinylmethyl]furan-2-carboxylic acid

C8H10N2O5S — CID 123122626

IUPAC5-[(2-hydrazinyl-2-oxoethyl)sulfinylmethyl]furan-2-carboxylic acid
SMILESNNC(=O)CS(=O)Cc1ccc(C(=O)O)o1
InChIInChI=1S/C8H10N2O5S/c9-10-7(11)4-16(14)3-5-1-2-6(15-5)8(12)13/h1-2H,3-4,9H2,(H,10,11)(H,12,13)
InChIKeyDVCZKDHNVQHZAV-UHFFFAOYSA-N
MW246.24 g/mol
LogP-0.78
Rot. Bonds5

About 5-[(2-hydrazinyl-2-oxoethyl)sulfinylmethyl]furan-2-carboxylic acid

5-[(2-hydrazinyl-2-oxoethyl)sulfinylmethyl]furan-2-carboxylic acid (PubChem CID 123122626) has the molecular formula C8H10N2O5S and a molecular weight of 246.24 g/mol. Its IUPAC name is 5-[(2-hydrazinyl-2-oxoethyl)sulfinylmethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-hydrazinyl-2-oxoethyl)sulfinylmethyl]furan-2-carboxylic acid
PubChem CID123122626
Molecular FormulaC8H10N2O5S
Molecular Weight246.24 g/mol
Exact Mass246.03
IUPAC Name5-[(2-hydrazinyl-2-oxoethyl)sulfinylmethyl]furan-2-carboxylic acid
SMILESNNC(=O)CS(=O)Cc1ccc(C(=O)O)o1
InChIInChI=1S/C8H10N2O5S/c9-10-7(11)4-16(14)3-5-1-2-6(15-5)8(12)13/h1-2H,3-4,9H2,(H,10,11)(H,12,13)
InChIKeyDVCZKDHNVQHZAV-UHFFFAOYSA-N
XLogP-0.78
TPSA122.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(5-carboxyfuran-2-yl)methylsulfinylmethyl]furan-2-carboxylic acid
CID 123122768
5-[(4-bromophenyl)methylsulfinylmethyl]furan-2-carboxylic acid
CID 123106052
5-[[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfinylmethyl]furan-2-carboxylic acid
CID 123122733
5-(2-piperidin-1-ylethylsulfinylmethyl)furan-2-carboxylic acid
CID 123120833
5-[[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]sulfinylmethyl]furan-2-carboxylic acid
CID 123122629
5-[[2-[(4-methyl-5-propan-2-yloxycarbonyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfinylmethyl]furan-2-carboxylic acid
CID 123122766
5-[(2,4-dichlorophenyl)methylsulfinylmethyl]furan-2-carboxylic acid
CID 123122705
5-[(1-butan-2-yloxy-1-oxopropan-2-yl)sulfinylmethyl]furan-2-carboxylic acid
CID 123122682
5-(ethylsulfinylmethyl)furan-2-carboxamide
CID 175437195
5-[[2-(4-tert-butylcyclohexyl)oxy-2-oxoethyl]sulfinylmethyl]furan-2-carboxylic acid
CID 123104255
5-[(3,5-dimethylphenyl)sulfinylmethyl]furan-2-carboxylic acid
CID 53212367
5-(fluoromethyl)furan-2-carboxylic acid
CID 18507676

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydrazinyl-2-oxoethyl)sulfinylmethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(2-hydrazinyl-2-oxoethyl)sulfinylmethyl]furan-2-carboxylic acid (CID 123122626) is 5-[(2-hydrazinyl-2-oxoethyl)sulfinylmethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2-hydrazinyl-2-oxoethyl)sulfinylmethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2-hydrazinyl-2-oxoethyl)sulfinylmethyl]furan-2-carboxylic acid is NNC(=O)CS(=O)Cc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(2-hydrazinyl-2-oxoethyl)sulfinylmethyl]furan-2-carboxylic acid?
The InChIKey is DVCZKDHNVQHZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O5S/c9-10-7(11)4-16(14)3-5-1-2-6(15-5)8(12)13/h1-2H,3-4,9H2,(H,10,11)(H,12,13).
What are the key properties of 5-[(2-hydrazinyl-2-oxoethyl)sulfinylmethyl]furan-2-carboxylic acid?
5-[(2-hydrazinyl-2-oxoethyl)sulfinylmethyl]furan-2-carboxylic acid has a molecular weight of 246.24 g/mol, XLogP of -0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydrazinyl-2-oxoethyl)sulfinylmethyl]furan-2-carboxylic acid is sourced from PubChem (CID 123122626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).