methyl 4-[[1-(2-methoxy-2-oxoethyl)pyrazol-4-yl]sulfamoyl]butanoate

C11H17N3O6S — CID 61457309

IUPACmethyl 4-[[1-(2-methoxy-2-oxoethyl)pyrazol-4-yl]sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)Nc1cnn(CC(=O)OC)c1
InChIInChI=1S/C11H17N3O6S/c1-19-10(15)4-3-5-21(17,18)13-9-6-12-14(7-9)8-11(16)20-2/h6-7,13H,3-5,8H2,1-2H3
InChIKeyMBTUUUMONKJZLN-UHFFFAOYSA-N
MW319.34 g/mol
LogP-0.25
Rot. Bonds8

About methyl 4-[[1-(2-methoxy-2-oxoethyl)pyrazol-4-yl]sulfamoyl]butanoate

methyl 4-[[1-(2-methoxy-2-oxoethyl)pyrazol-4-yl]sulfamoyl]butanoate (PubChem CID 61457309) has the molecular formula C11H17N3O6S and a molecular weight of 319.34 g/mol. Its IUPAC name is methyl 4-[[1-(2-methoxy-2-oxoethyl)pyrazol-4-yl]sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[[1-(2-methoxy-2-oxoethyl)pyrazol-4-yl]sulfamoyl]butanoate
PubChem CID61457309
Molecular FormulaC11H17N3O6S
Molecular Weight319.34 g/mol
Exact Mass319.08
IUPAC Namemethyl 4-[[1-(2-methoxy-2-oxoethyl)pyrazol-4-yl]sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)Nc1cnn(CC(=O)OC)c1
InChIInChI=1S/C11H17N3O6S/c1-19-10(15)4-3-5-21(17,18)13-9-6-12-14(7-9)8-11(16)20-2/h6-7,13H,3-5,8H2,1-2H3
InChIKeyMBTUUUMONKJZLN-UHFFFAOYSA-N
XLogP-0.25
TPSA116.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(2-methoxy-2-oxoethyl)pyrazol-4-yl]sulfamoyl]butanoate?
The IUPAC name of methyl 4-[[1-(2-methoxy-2-oxoethyl)pyrazol-4-yl]sulfamoyl]butanoate (CID 61457309) is methyl 4-[[1-(2-methoxy-2-oxoethyl)pyrazol-4-yl]sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[[1-(2-methoxy-2-oxoethyl)pyrazol-4-yl]sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[[1-(2-methoxy-2-oxoethyl)pyrazol-4-yl]sulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)Nc1cnn(CC(=O)OC)c1.
What is the InChIKey of methyl 4-[[1-(2-methoxy-2-oxoethyl)pyrazol-4-yl]sulfamoyl]butanoate?
The InChIKey is MBTUUUMONKJZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O6S/c1-19-10(15)4-3-5-21(17,18)13-9-6-12-14(7-9)8-11(16)20-2/h6-7,13H,3-5,8H2,1-2H3.
What are the key properties of methyl 4-[[1-(2-methoxy-2-oxoethyl)pyrazol-4-yl]sulfamoyl]butanoate?
methyl 4-[[1-(2-methoxy-2-oxoethyl)pyrazol-4-yl]sulfamoyl]butanoate has a molecular weight of 319.34 g/mol, XLogP of -0.25, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(2-methoxy-2-oxoethyl)pyrazol-4-yl]sulfamoyl]butanoate is sourced from PubChem (CID 61457309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).