methyl 1-(1H-pyrazol-4-ylsulfamoyl)piperidine-4-carboxylate

C10H16N4O4S — CID 43540551

IUPACmethyl 1-(1H-pyrazol-4-ylsulfamoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)Nc2cn[nH]c2)CC1
InChIInChI=1S/C10H16N4O4S/c1-18-10(15)8-2-4-14(5-3-8)19(16,17)13-9-6-11-12-7-9/h6-8,13H,2-5H2,1H3,(H,11,12)
InChIKeyKATYKOYCOKYYSL-UHFFFAOYSA-N
MW288.33 g/mol
LogP-0.05
Rot. Bonds4

About methyl 1-(1H-pyrazol-4-ylsulfamoyl)piperidine-4-carboxylate

methyl 1-(1H-pyrazol-4-ylsulfamoyl)piperidine-4-carboxylate (PubChem CID 43540551) has the molecular formula C10H16N4O4S and a molecular weight of 288.33 g/mol. Its IUPAC name is methyl 1-(1H-pyrazol-4-ylsulfamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1H-pyrazol-4-ylsulfamoyl)piperidine-4-carboxylate
PubChem CID43540551
Molecular FormulaC10H16N4O4S
Molecular Weight288.33 g/mol
Exact Mass288.09
IUPAC Namemethyl 1-(1H-pyrazol-4-ylsulfamoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)Nc2cn[nH]c2)CC1
InChIInChI=1S/C10H16N4O4S/c1-18-10(15)8-2-4-14(5-3-8)19(16,17)13-9-6-11-12-7-9/h6-8,13H,2-5H2,1H3,(H,11,12)
InChIKeyKATYKOYCOKYYSL-UHFFFAOYSA-N
XLogP-0.05
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(1H-pyrazol-4-ylsulfamoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(1H-pyrazol-4-ylsulfamoyl)piperidine-4-carboxylate (CID 43540551) is methyl 1-(1H-pyrazol-4-ylsulfamoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(1H-pyrazol-4-ylsulfamoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(1H-pyrazol-4-ylsulfamoyl)piperidine-4-carboxylate is COC(=O)C1CCN(S(=O)(=O)Nc2cn[nH]c2)CC1.
What is the InChIKey of methyl 1-(1H-pyrazol-4-ylsulfamoyl)piperidine-4-carboxylate?
The InChIKey is KATYKOYCOKYYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4S/c1-18-10(15)8-2-4-14(5-3-8)19(16,17)13-9-6-11-12-7-9/h6-8,13H,2-5H2,1H3,(H,11,12).
What are the key properties of methyl 1-(1H-pyrazol-4-ylsulfamoyl)piperidine-4-carboxylate?
methyl 1-(1H-pyrazol-4-ylsulfamoyl)piperidine-4-carboxylate has a molecular weight of 288.33 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1H-pyrazol-4-ylsulfamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 43540551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).