3-[4-(2-methylsulfonylethylsulfamoyl)pyrazol-1-yl]propanoic acid

C9H15N3O6S2 — CID 60919802

IUPAC3-[4-(2-methylsulfonylethylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESCS(=O)(=O)CCNS(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C9H15N3O6S2/c1-19(15,16)5-3-11-20(17,18)8-6-10-12(7-8)4-2-9(13)14/h6-7,11H,2-5H2,1H3,(H,13,14)
InChIKeyCEAKGGXUQWLUJK-UHFFFAOYSA-N
MW325.37 g/mol
LogP-1.32
Rot. Bonds8

About 3-[4-(2-methylsulfonylethylsulfamoyl)pyrazol-1-yl]propanoic acid

3-[4-(2-methylsulfonylethylsulfamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 60919802) has the molecular formula C9H15N3O6S2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-[4-(2-methylsulfonylethylsulfamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(2-methylsulfonylethylsulfamoyl)pyrazol-1-yl]propanoic acid
PubChem CID60919802
Molecular FormulaC9H15N3O6S2
Molecular Weight325.37 g/mol
Exact Mass325.04
IUPAC Name3-[4-(2-methylsulfonylethylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESCS(=O)(=O)CCNS(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C9H15N3O6S2/c1-19(15,16)5-3-11-20(17,18)8-6-10-12(7-8)4-2-9(13)14/h6-7,11H,2-5H2,1H3,(H,13,14)
InChIKeyCEAKGGXUQWLUJK-UHFFFAOYSA-N
XLogP-1.32
TPSA135.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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3-[4-(2-methylbutylsulfamoyl)pyrazol-1-yl]propanoic acid
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3-[4-[(2-ethyl-2-hydroxybutyl)sulfamoyl]pyrazol-1-yl]propanoic acid
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3-[4-[(1-methylpyrazol-4-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylsulfonylethylsulfamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-(2-methylsulfonylethylsulfamoyl)pyrazol-1-yl]propanoic acid (CID 60919802) is 3-[4-(2-methylsulfonylethylsulfamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(2-methylsulfonylethylsulfamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(2-methylsulfonylethylsulfamoyl)pyrazol-1-yl]propanoic acid is CS(=O)(=O)CCNS(=O)(=O)c1cnn(CCC(=O)O)c1.
What is the InChIKey of 3-[4-(2-methylsulfonylethylsulfamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is CEAKGGXUQWLUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O6S2/c1-19(15,16)5-3-11-20(17,18)8-6-10-12(7-8)4-2-9(13)14/h6-7,11H,2-5H2,1H3,(H,13,14).
What are the key properties of 3-[4-(2-methylsulfonylethylsulfamoyl)pyrazol-1-yl]propanoic acid?
3-[4-(2-methylsulfonylethylsulfamoyl)pyrazol-1-yl]propanoic acid has a molecular weight of 325.37 g/mol, XLogP of -1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylsulfonylethylsulfamoyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 60919802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).