1-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid

C12H20N4O4S — CID 103004707

IUPAC1-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
SMILESCn1nccc1CCNS(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C12H20N4O4S/c1-15-11(4-6-13-15)5-7-14-21(19,20)16-8-2-3-10(9-16)12(17)18/h4,6,10,14H,2-3,5,7-9H2,1H3,(H,17,18)
InChIKeySKXSABMQTWQNNE-UHFFFAOYSA-N
MW316.38 g/mol
LogP-0.41
Rot. Bonds6

About 1-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid

1-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid (PubChem CID 103004707) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
PubChem CID103004707
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC Name1-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
SMILESCn1nccc1CCNS(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C12H20N4O4S/c1-15-11(4-6-13-15)5-7-14-21(19,20)16-8-2-3-10(9-16)12(17)18/h4,6,10,14H,2-3,5,7-9H2,1H3,(H,17,18)
InChIKeySKXSABMQTWQNNE-UHFFFAOYSA-N
XLogP-0.41
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]piperidine-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

1-[2-(1-methylpyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
CID 78979343
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
CID 146092790
(3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid
CID 104709718
(3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104978646
1-[3-(methanesulfonamido)propylsulfamoyl]piperidine-3-carboxylic acid
CID 106334906
1-(3,3-dimethylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 113227859
1-(2-methylsulfanylethylsulfamoyl)piperidine-3-carboxylic acid
CID 60858603
1-(2-propan-2-yloxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104759129
1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid
CID 54914300
1-(2-piperazin-1-ylethylsulfamoyl)piperidine-3-carboxylic acid
CID 61403789
1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 103009203
1-[(1-methylpyrrolidin-3-yl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 60859573

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid (CID 103004707) is 1-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid is Cn1nccc1CCNS(=O)(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is SKXSABMQTWQNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-15-11(4-6-13-15)5-7-14-21(19,20)16-8-2-3-10(9-16)12(17)18/h4,6,10,14H,2-3,5,7-9H2,1H3,(H,17,18).
What are the key properties of 1-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid?
1-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 316.38 g/mol, XLogP of -0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 103004707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).