5-methyl-4-(2-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid

C12H17NO5S — CID 62805389

IUPAC5-methyl-4-(2-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C12H17NO5S/c1-8-5-3-4-6-13(8)19(16,17)11-7-10(12(14)15)18-9(11)2/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyKYPAHPSAQRDRKC-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.85
Rot. Bonds3

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

5-methyl-4-(2-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid (PubChem CID 62805389) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-methyl-4-(2-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-(2-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid
PubChem CID62805389
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name5-methyl-4-(2-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C12H17NO5S/c1-8-5-3-4-6-13(8)19(16,17)11-7-10(12(14)15)18-9(11)2/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyKYPAHPSAQRDRKC-UHFFFAOYSA-N
XLogP1.85
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-4-(2-methylpiperidin-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

4-(3-hydroxypiperidin-1-yl)sulfonyl-5-methylfuran-2-carboxylic acid
CID 62804142
5-(2-methylpyrrolidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 54882569
5-methyl-4-[methyl-(2-methylcyclohexyl)sulfamoyl]furan-2-carboxylic acid
CID 62805034
3-amino-4-(2-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 81470807
5-methyl-4-thiomorpholin-4-ylsulfonylfuran-2-carboxylic acid
CID 62803789
4-fluoro-2-(2-methylazepan-1-yl)sulfonylbenzoic acid
CID 102919549
4-ethyl-3-(2-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 43311471
5-methyl-4-(1,4-thiazepan-4-ylsulfonyl)furan-2-carboxylic acid
CID 62805219
4-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methylfuran-2-carboxylic acid
CID 106586193
4-(cyclopropylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 62805751
1-(5-bromo-2-methylphenyl)sulfonyl-2-methylpiperidine
CID 2873404
4-(2-methylpiperidin-1-yl)sulfonylfuran-2-carboxamide
CID 5307401

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid?
The IUPAC name of 5-methyl-4-(2-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid (CID 62805389) is 5-methyl-4-(2-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-(2-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-(2-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)N1CCCCC1C.
What is the InChIKey of 5-methyl-4-(2-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid?
The InChIKey is KYPAHPSAQRDRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-8-5-3-4-6-13(8)19(16,17)11-7-10(12(14)15)18-9(11)2/h7-8H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 5-methyl-4-(2-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid?
5-methyl-4-(2-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid has a molecular weight of 287.34 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid is sourced from PubChem (CID 62805389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).