3-(3,4-dimethylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid

C11H16N2O4S2 — CID 63610538

IUPAC3-(3,4-dimethylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
SMILESCC1CN(S(=O)(=O)c2ccsc2C(=O)O)CCN1C
InChIInChI=1S/C11H16N2O4S2/c1-8-7-13(5-4-12(8)2)19(16,17)9-3-6-18-10(9)11(14)15/h3,6,8H,4-5,7H2,1-2H3,(H,14,15)
InChIKeyYWWRFKXOWHTNTN-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.77
Rot. Bonds3

About 3-(3,4-dimethylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid

3-(3,4-dimethylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid (PubChem CID 63610538) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-(3,4-dimethylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(3,4-dimethylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
PubChem CID63610538
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC Name3-(3,4-dimethylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
SMILESCC1CN(S(=O)(=O)c2ccsc2C(=O)O)CCN1C
InChIInChI=1S/C11H16N2O4S2/c1-8-7-13(5-4-12(8)2)19(16,17)9-3-6-18-10(9)11(14)15/h3,6,8H,4-5,7H2,1-2H3,(H,14,15)
InChIKeyYWWRFKXOWHTNTN-UHFFFAOYSA-N
XLogP0.77
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3,4-dimethylpiperazin-1-yl)sulfonylthiophene-2-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

3-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 17221108
3-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 112624774
3-(4-propan-2-ylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 103494323
3-[(3R)-3-methylpiperidin-1-yl]sulfonylthiophene-2-carbohydrazide
CID 26585376
3-[(3S)-3-methylpiperidin-1-yl]sulfonylthiophene-2-carbohydrazide
CID 26585377
3-[(7,7-dimethyl-1,4-thiazepan-4-yl)sulfonyl]thiophene-2-carboxylic acid
CID 107453716
1-[4-(3,4-dimethylpiperazin-1-yl)sulfonylphenyl]ethanone
CID 63620566
methyl 3-(3,5-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylate
CID 18147980
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)thiophene-2-carboxylic acid
CID 112726209
methyl 3-[(3R)-3-methylpiperazin-1-yl]sulfonylthiophene-2-carboxylate
CID 104975164
methyl 3-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxylate
CID 114680534
3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophene-2-carboxylic acid
CID 114459835

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid?
The IUPAC name of 3-(3,4-dimethylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid (CID 63610538) is 3-(3,4-dimethylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-(3,4-dimethylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid?
The canonical SMILES for 3-(3,4-dimethylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid is CC1CN(S(=O)(=O)c2ccsc2C(=O)O)CCN1C.
What is the InChIKey of 3-(3,4-dimethylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid?
The InChIKey is YWWRFKXOWHTNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c1-8-7-13(5-4-12(8)2)19(16,17)9-3-6-18-10(9)11(14)15/h3,6,8H,4-5,7H2,1-2H3,(H,14,15).
What are the key properties of 3-(3,4-dimethylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid?
3-(3,4-dimethylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid has a molecular weight of 304.39 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid is sourced from PubChem (CID 63610538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).