4-[(2-amino-2-oxoethoxy)sulfamoyl]-5-methylthiophene-2-carboxylic acid

C8H10N2O6S2 — CID 112672388

IUPAC4-[(2-amino-2-oxoethoxy)sulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)NOCC(N)=O
InChIInChI=1S/C8H10N2O6S2/c1-4-6(2-5(17-4)8(12)13)18(14,15)10-16-3-7(9)11/h2,10H,3H2,1H3,(H2,9,11)(H,12,13)
InChIKeyCNSKHAFCPCZEIZ-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.55
Rot. Bonds6

About 4-[(2-amino-2-oxoethoxy)sulfamoyl]-5-methylthiophene-2-carboxylic acid

4-[(2-amino-2-oxoethoxy)sulfamoyl]-5-methylthiophene-2-carboxylic acid (PubChem CID 112672388) has the molecular formula C8H10N2O6S2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-[(2-amino-2-oxoethoxy)sulfamoyl]-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-amino-2-oxoethoxy)sulfamoyl]-5-methylthiophene-2-carboxylic acid
PubChem CID112672388
Molecular FormulaC8H10N2O6S2
Molecular Weight294.31 g/mol
Exact Mass294.00
IUPAC Name4-[(2-amino-2-oxoethoxy)sulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)NOCC(N)=O
InChIInChI=1S/C8H10N2O6S2/c1-4-6(2-5(17-4)8(12)13)18(14,15)10-16-3-7(9)11/h2,10H,3H2,1H3,(H2,9,11)(H,12,13)
InChIKeyCNSKHAFCPCZEIZ-UHFFFAOYSA-N
XLogP-0.55
TPSA135.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-oxoethoxy)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-[(2-amino-2-oxoethoxy)sulfamoyl]-5-methylthiophene-2-carboxylic acid (CID 112672388) is 4-[(2-amino-2-oxoethoxy)sulfamoyl]-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(2-amino-2-oxoethoxy)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[(2-amino-2-oxoethoxy)sulfamoyl]-5-methylthiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1S(=O)(=O)NOCC(N)=O.
What is the InChIKey of 4-[(2-amino-2-oxoethoxy)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The InChIKey is CNSKHAFCPCZEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O6S2/c1-4-6(2-5(17-4)8(12)13)18(14,15)10-16-3-7(9)11/h2,10H,3H2,1H3,(H2,9,11)(H,12,13).
What are the key properties of 4-[(2-amino-2-oxoethoxy)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
4-[(2-amino-2-oxoethoxy)sulfamoyl]-5-methylthiophene-2-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of -0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-oxoethoxy)sulfamoyl]-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 112672388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).