1-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid

C11H18N4O4S — CID 106208912

IUPAC1-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
SMILESCC(NS(=O)(=O)N1CCCC(C(=O)O)C1)c1cn[nH]c1
InChIInChI=1S/C11H18N4O4S/c1-8(10-5-12-13-6-10)14-20(18,19)15-4-2-3-9(7-15)11(16)17/h5-6,8-9,14H,2-4,7H2,1H3,(H,12,13)(H,16,17)
InChIKeyMOPAFHMYSWRKRC-UHFFFAOYSA-N
MW302.36 g/mol
LogP0.10
Rot. Bonds5

About 1-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid

1-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid (PubChem CID 106208912) has the molecular formula C11H18N4O4S and a molecular weight of 302.36 g/mol. Its IUPAC name is 1-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
PubChem CID106208912
Molecular FormulaC11H18N4O4S
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC Name1-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
SMILESCC(NS(=O)(=O)N1CCCC(C(=O)O)C1)c1cn[nH]c1
InChIInChI=1S/C11H18N4O4S/c1-8(10-5-12-13-6-10)14-20(18,19)15-4-2-3-9(7-15)11(16)17/h5-6,8-9,14H,2-4,7H2,1H3,(H,12,13)(H,16,17)
InChIKeyMOPAFHMYSWRKRC-UHFFFAOYSA-N
XLogP0.10
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]morpholine-4-sulfonamide
CID 103854198
4-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide
CID 106218488
2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide
CID 106218544
1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 114159335
1-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)piperidine-3-carboxylic acid
CID 61473233
1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]piperidine-3-carboxylic acid
CID 79254422
3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide
CID 103856925
methyl (3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxylate
CID 79032593
(3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid
CID 104929168
1-(dimethylaminosulfamoyl)piperidine-3-carboxylic acid
CID 83003975
1-(2-propan-2-yloxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104759129
1-(octan-2-ylsulfamoyl)piperidine-3-carboxylic acid
CID 60859129

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid (CID 106208912) is 1-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid is CC(NS(=O)(=O)N1CCCC(C(=O)O)C1)c1cn[nH]c1.
What is the InChIKey of 1-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is MOPAFHMYSWRKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S/c1-8(10-5-12-13-6-10)14-20(18,19)15-4-2-3-9(7-15)11(16)17/h5-6,8-9,14H,2-4,7H2,1H3,(H,12,13)(H,16,17).
What are the key properties of 1-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid?
1-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 302.36 g/mol, XLogP of 0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 106208912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).