5-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-3-carboxylic acid

C10H15N3O4S2 — CID 78913710

IUPAC5-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCN1CCN(NS(=O)(=O)c2cc(C(=O)O)cs2)CC1
InChIInChI=1S/C10H15N3O4S2/c1-12-2-4-13(5-3-12)11-19(16,17)9-6-8(7-18-9)10(14)15/h6-7,11H,2-5H2,1H3,(H,14,15)
InChIKeyZWZAASYSRNTWPW-UHFFFAOYSA-N
MW305.38 g/mol
LogP-0.11
Rot. Bonds4

About 5-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-3-carboxylic acid

5-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 78913710) has the molecular formula C10H15N3O4S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-3-carboxylic acid
PubChem CID78913710
Molecular FormulaC10H15N3O4S2
Molecular Weight305.38 g/mol
Exact Mass305.05
IUPAC Name5-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCN1CCN(NS(=O)(=O)c2cc(C(=O)O)cs2)CC1
InChIInChI=1S/C10H15N3O4S2/c1-12-2-4-13(5-3-12)11-19(16,17)9-6-8(7-18-9)10(14)15/h6-7,11H,2-5H2,1H3,(H,14,15)
InChIKeyZWZAASYSRNTWPW-UHFFFAOYSA-N
XLogP-0.11
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(morpholin-4-ylsulfamoyl)thiophene-3-carboxylic acid
CID 83004371
4-amino-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide
CID 83013468
N-methyl-4-(4-methylpiperazine-1-carbonyl)thiophene-2-sulfonamide
CID 70848166
5-[(1-methylpyrrolidin-3-yl)sulfamoyl]thiophene-3-carboxylic acid
CID 61356204
5-(dimethylaminosulfamoyl)thiophene-3-carboxylic acid
CID 83005192
5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 29033671
5-[2-(1,3-thiazol-2-yl)propan-2-ylsulfamoyl]thiophene-3-carboxylic acid
CID 75456984
5-(cycloheptylsulfamoyl)thiophene-3-carboxylic acid
CID 43091190
5-[[1-(dimethylamino)cyclobutyl]methylsulfamoyl]thiophene-3-carboxylic acid
CID 105413237
5-[[1-(dimethylamino)cyclopentyl]methylsulfamoyl]thiophene-3-carboxylic acid
CID 115282496
5-bromo-4-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 83005831
5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
CID 103004685

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-3-carboxylic acid (CID 78913710) is 5-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-3-carboxylic acid is CN1CCN(NS(=O)(=O)c2cc(C(=O)O)cs2)CC1.
What is the InChIKey of 5-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is ZWZAASYSRNTWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S2/c1-12-2-4-13(5-3-12)11-19(16,17)9-6-8(7-18-9)10(14)15/h6-7,11H,2-5H2,1H3,(H,14,15).
What are the key properties of 5-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-3-carboxylic acid?
5-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 305.38 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 78913710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).