5-(4-acetylpiperazin-1-yl)sulfonylfuran-2-carboxylic acid

C11H14N2O6S — CID 29077415

IUPAC5-(4-acetylpiperazin-1-yl)sulfonylfuran-2-carboxylic acid
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)O)o2)CC1
InChIInChI=1S/C11H14N2O6S/c1-8(14)12-4-6-13(7-5-12)20(17,18)10-3-2-9(19-10)11(15)16/h2-3H,4-7H2,1H3,(H,15,16)
InChIKeyDXFMKRCRHDBKBH-UHFFFAOYSA-N
MW302.31 g/mol
LogP-0.17
Rot. Bonds3

About 5-(4-acetylpiperazin-1-yl)sulfonylfuran-2-carboxylic acid

5-(4-acetylpiperazin-1-yl)sulfonylfuran-2-carboxylic acid (PubChem CID 29077415) has the molecular formula C11H14N2O6S and a molecular weight of 302.31 g/mol. Its IUPAC name is 5-(4-acetylpiperazin-1-yl)sulfonylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-acetylpiperazin-1-yl)sulfonylfuran-2-carboxylic acid
PubChem CID29077415
Molecular FormulaC11H14N2O6S
Molecular Weight302.31 g/mol
Exact Mass302.06
IUPAC Name5-(4-acetylpiperazin-1-yl)sulfonylfuran-2-carboxylic acid
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)O)o2)CC1
InChIInChI=1S/C11H14N2O6S/c1-8(14)12-4-6-13(7-5-12)20(17,18)10-3-2-9(19-10)11(15)16/h2-3H,4-7H2,1H3,(H,15,16)
InChIKeyDXFMKRCRHDBKBH-UHFFFAOYSA-N
XLogP-0.17
TPSA108.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-acetylpiperazin-1-yl)sulfonylfuran-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

5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid
CID 93025181
5-[4-(5-chloro-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxylic acid
CID 75417967
5-(4-hydroxy-4-methylazepan-1-yl)sulfonylfuran-2-carboxylic acid
CID 107404061
5-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 119184796
5-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 43149837
5-[4-(2,5-dimethylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 120552103
5-(3-hydroxy-3-propylazetidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 107215788
methyl 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate
CID 716787
5-[(3S)-3-hydroxypiperidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 93086341
5-[4-(4-aminobenzoyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 119733816
5-[4-(1,4-oxazepane-4-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 119182628
5-(2-methylpyrrolidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 54882569

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylpiperazin-1-yl)sulfonylfuran-2-carboxylic acid?
The IUPAC name of 5-(4-acetylpiperazin-1-yl)sulfonylfuran-2-carboxylic acid (CID 29077415) is 5-(4-acetylpiperazin-1-yl)sulfonylfuran-2-carboxylic acid.
What is the SMILES notation for 5-(4-acetylpiperazin-1-yl)sulfonylfuran-2-carboxylic acid?
The canonical SMILES for 5-(4-acetylpiperazin-1-yl)sulfonylfuran-2-carboxylic acid is CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)O)o2)CC1.
What is the InChIKey of 5-(4-acetylpiperazin-1-yl)sulfonylfuran-2-carboxylic acid?
The InChIKey is DXFMKRCRHDBKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6S/c1-8(14)12-4-6-13(7-5-12)20(17,18)10-3-2-9(19-10)11(15)16/h2-3H,4-7H2,1H3,(H,15,16).
What are the key properties of 5-(4-acetylpiperazin-1-yl)sulfonylfuran-2-carboxylic acid?
5-(4-acetylpiperazin-1-yl)sulfonylfuran-2-carboxylic acid has a molecular weight of 302.31 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylpiperazin-1-yl)sulfonylfuran-2-carboxylic acid is sourced from PubChem (CID 29077415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).