1-[2-(1-methylpyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid

C12H20N4O4S — CID 78979343

IUPAC1-[2-(1-methylpyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
SMILESCn1cc(CCNS(=O)(=O)N2CCCC(C(=O)O)C2)cn1
InChIInChI=1S/C12H20N4O4S/c1-15-8-10(7-13-15)4-5-14-21(19,20)16-6-2-3-11(9-16)12(17)18/h7-8,11,14H,2-6,9H2,1H3,(H,17,18)
InChIKeyPLDUQCCJJLLTKQ-UHFFFAOYSA-N
MW316.38 g/mol
LogP-0.41
Rot. Bonds6

About 1-[2-(1-methylpyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid

1-[2-(1-methylpyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid (PubChem CID 78979343) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
PubChem CID78979343
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC Name1-[2-(1-methylpyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
SMILESCn1cc(CCNS(=O)(=O)N2CCCC(C(=O)O)C2)cn1
InChIInChI=1S/C12H20N4O4S/c1-15-8-10(7-13-15)4-5-14-21(19,20)16-6-2-3-11(9-16)12(17)18/h7-8,11,14H,2-6,9H2,1H3,(H,17,18)
InChIKeyPLDUQCCJJLLTKQ-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

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Related Compounds

1-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
CID 103004707
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
CID 146092790
1-[3-(methanesulfonamido)propylsulfamoyl]piperidine-3-carboxylic acid
CID 106334906
(3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104978646
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
3-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 106018210
1-(2-piperazin-1-ylethylsulfamoyl)piperidine-3-carboxylic acid
CID 61403789
1-[(1-methylpyrrolidin-3-yl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 60859573
1-(3-butoxypropylsulfamoyl)piperidine-3-carboxylic acid
CID 115596236

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid (CID 78979343) is 1-[2-(1-methylpyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(1-methylpyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(1-methylpyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid is Cn1cc(CCNS(=O)(=O)N2CCCC(C(=O)O)C2)cn1.
What is the InChIKey of 1-[2-(1-methylpyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is PLDUQCCJJLLTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-15-8-10(7-13-15)4-5-14-21(19,20)16-6-2-3-11(9-16)12(17)18/h7-8,11,14H,2-6,9H2,1H3,(H,17,18).
What are the key properties of 1-[2-(1-methylpyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid?
1-[2-(1-methylpyrazol-4-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-(1-methylpyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 78979343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).