methyl 1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboxylate

C11H17N3O4S — CID 113444014

IUPACmethyl 1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)c2ccnn2C)CC1
InChIInChI=1S/C11H17N3O4S/c1-13-10(3-6-12-13)19(16,17)14-7-4-9(5-8-14)11(15)18-2/h3,6,9H,4-5,7-8H2,1-2H3
InChIKeyJGQFNAUXAODROI-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.01
Rot. Bonds3

About methyl 1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboxylate

methyl 1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboxylate (PubChem CID 113444014) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is methyl 1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboxylate
PubChem CID113444014
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Namemethyl 1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)c2ccnn2C)CC1
InChIInChI=1S/C11H17N3O4S/c1-13-10(3-6-12-13)19(16,17)14-7-4-9(5-8-14)11(15)18-2/h3,6,9H,4-5,7-8H2,1-2H3
InChIKeyJGQFNAUXAODROI-UHFFFAOYSA-N
XLogP-0.01
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 104709610
N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine
CID 104710312
methyl 4-[(2-methylpyrazol-3-yl)sulfonylamino]cyclohexane-1-carboxylate
CID 104710389
4-(methoxymethyl)-1-(2-methylpyrazol-3-yl)sulfonylazepane
CID 139013446
(3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid
CID 104709718
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721
1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-one
CID 104709956
methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
CID 7961507
5-[3-(2-chloroethyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole
CID 114801854
methyl 4-hydroxy-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxylate
CID 113444025
3-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-amine
CID 104710309
methyl 1-(3-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 43404909

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboxylate (CID 113444014) is methyl 1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboxylate is COC(=O)C1CCN(S(=O)(=O)c2ccnn2C)CC1.
What is the InChIKey of methyl 1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboxylate?
The InChIKey is JGQFNAUXAODROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-13-10(3-6-12-13)19(16,17)14-7-4-9(5-8-14)11(15)18-2/h3,6,9H,4-5,7-8H2,1-2H3.
What are the key properties of methyl 1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboxylate?
methyl 1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboxylate has a molecular weight of 287.34 g/mol, XLogP of -0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 113444014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).