5-[(1-methylpyrrolidin-3-yl)sulfamoyl]thiophene-3-carboxylic acid

C10H14N2O4S2 — CID 61356204

IUPAC5-[(1-methylpyrrolidin-3-yl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCN1CCC(NS(=O)(=O)c2cc(C(=O)O)cs2)C1
InChIInChI=1S/C10H14N2O4S2/c1-12-3-2-8(5-12)11-18(15,16)9-4-7(6-17-9)10(13)14/h4,6,8,11H,2-3,5H2,1H3,(H,13,14)
InChIKeyFLOMSSOMDLAGQR-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.43
Rot. Bonds4

About 5-[(1-methylpyrrolidin-3-yl)sulfamoyl]thiophene-3-carboxylic acid

5-[(1-methylpyrrolidin-3-yl)sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 61356204) has the molecular formula C10H14N2O4S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-[(1-methylpyrrolidin-3-yl)sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[(1-methylpyrrolidin-3-yl)sulfamoyl]thiophene-3-carboxylic acid
PubChem CID61356204
Molecular FormulaC10H14N2O4S2
Molecular Weight290.37 g/mol
Exact Mass290.04
IUPAC Name5-[(1-methylpyrrolidin-3-yl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCN1CCC(NS(=O)(=O)c2cc(C(=O)O)cs2)C1
InChIInChI=1S/C10H14N2O4S2/c1-12-3-2-8(5-12)11-18(15,16)9-4-7(6-17-9)10(13)14/h4,6,8,11H,2-3,5H2,1H3,(H,13,14)
InChIKeyFLOMSSOMDLAGQR-UHFFFAOYSA-N
XLogP0.43
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cycloheptylsulfamoyl)thiophene-3-carboxylic acid
CID 43091190
4-(methylaminomethyl)-N-(1-methylpyrrolidin-3-yl)thiophene-2-sulfonamide
CID 114140871
5-(oxolan-3-ylsulfamoyl)thiophene-3-carboxylic acid
CID 80716496
5-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-3-carboxylic acid
CID 78913710
4-amino-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 61300929
5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid
CID 63236674
5-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)thiophene-3-carboxylic acid
CID 80715544
5-(dimethylaminosulfamoyl)thiophene-3-carboxylic acid
CID 83005192
N-methyl-4-(4-methylpiperazine-1-carbonyl)thiophene-2-sulfonamide
CID 70848166
5-(cyclopentyloxysulfamoyl)thiophene-3-carboxylic acid
CID 83228409
1-ethyl-4-[(1-methylpyrrolidin-3-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 61465078
5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 29033671

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpyrrolidin-3-yl)sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[(1-methylpyrrolidin-3-yl)sulfamoyl]thiophene-3-carboxylic acid (CID 61356204) is 5-[(1-methylpyrrolidin-3-yl)sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[(1-methylpyrrolidin-3-yl)sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[(1-methylpyrrolidin-3-yl)sulfamoyl]thiophene-3-carboxylic acid is CN1CCC(NS(=O)(=O)c2cc(C(=O)O)cs2)C1.
What is the InChIKey of 5-[(1-methylpyrrolidin-3-yl)sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is FLOMSSOMDLAGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S2/c1-12-3-2-8(5-12)11-18(15,16)9-4-7(6-17-9)10(13)14/h4,6,8,11H,2-3,5H2,1H3,(H,13,14).
What are the key properties of 5-[(1-methylpyrrolidin-3-yl)sulfamoyl]thiophene-3-carboxylic acid?
5-[(1-methylpyrrolidin-3-yl)sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 290.37 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpyrrolidin-3-yl)sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 61356204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).