5-[methoxy(methyl)sulfamoyl]thiophene-2-carboxylic acid

C7H9NO5S2 — CID 61026506

IUPAC5-[methoxy(methyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C7H9NO5S2/c1-8(13-2)15(11,12)6-4-3-5(14-6)7(9)10/h3-4H,1-2H3,(H,9,10)
InChIKeyDFSNKGNZPIWYGJ-UHFFFAOYSA-N
MW251.28 g/mol
LogP0.63
Rot. Bonds4

About 5-[methoxy(methyl)sulfamoyl]thiophene-2-carboxylic acid

5-[methoxy(methyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61026506) has the molecular formula C7H9NO5S2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 5-[methoxy(methyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[methoxy(methyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID61026506
Molecular FormulaC7H9NO5S2
Molecular Weight251.28 g/mol
Exact Mass250.99
IUPAC Name5-[methoxy(methyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C7H9NO5S2/c1-8(13-2)15(11,12)6-4-3-5(14-6)7(9)10/h3-4H,1-2H3,(H,9,10)
InChIKeyDFSNKGNZPIWYGJ-UHFFFAOYSA-N
XLogP0.63
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 54907426
5-[cyclopentyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026500
5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]thiophene-2-carboxylic acid
CID 61028167
5-[1-cyanopropan-2-yl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63223323
5-[methyl-[1-(5-methylthiophen-2-yl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 61028042
5-[2-cyanopropyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 54907618
5-[methyl(2-pyridin-4-ylethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61027898
5-[ethyl-(3-hydroxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 103223838
5-[cyclopropyl(propyl)sulfamoyl]thiophene-2-carboxylic acid
CID 54907804
5-[(4-hydroxyoxan-4-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid
CID 114948669
2-[methoxy(methyl)sulfamoyl]benzoic acid
CID 13140209
3-[methoxy(methyl)sulfamoyl]-1-benzothiophene-2-carboxylic acid
CID 63887566

Frequently Asked Questions

What is the IUPAC name of 5-[methoxy(methyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[methoxy(methyl)sulfamoyl]thiophene-2-carboxylic acid (CID 61026506) is 5-[methoxy(methyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[methoxy(methyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[methoxy(methyl)sulfamoyl]thiophene-2-carboxylic acid is CON(C)S(=O)(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[methoxy(methyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is DFSNKGNZPIWYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO5S2/c1-8(13-2)15(11,12)6-4-3-5(14-6)7(9)10/h3-4H,1-2H3,(H,9,10).
What are the key properties of 5-[methoxy(methyl)sulfamoyl]thiophene-2-carboxylic acid?
5-[methoxy(methyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 251.28 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methoxy(methyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61026506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).