2-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]acetic acid

C7H11N3O4S — CID 43361158

IUPAC2-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C7H11N3O4S/c1-9-4-6(3-8-9)15(13,14)10(2)5-7(11)12/h3-4H,5H2,1-2H3,(H,11,12)
InChIKeyRKYKEVCVKIYJON-UHFFFAOYSA-N
MW233.25 g/mol
LogP-0.87
Rot. Bonds4

About 2-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]acetic acid

2-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]acetic acid (PubChem CID 43361158) has the molecular formula C7H11N3O4S and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]acetic acid
PubChem CID43361158
Molecular FormulaC7H11N3O4S
Molecular Weight233.25 g/mol
Exact Mass233.05
IUPAC Name2-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C7H11N3O4S/c1-9-4-6(3-8-9)15(13,14)10(2)5-7(11)12/h3-4H,5H2,1-2H3,(H,11,12)
InChIKeyRKYKEVCVKIYJON-UHFFFAOYSA-N
XLogP-0.87
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]acetic acid?
The IUPAC name of 2-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]acetic acid (CID 43361158) is 2-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]acetic acid is CN(CC(=O)O)S(=O)(=O)c1cnn(C)c1.
What is the InChIKey of 2-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]acetic acid?
The InChIKey is RKYKEVCVKIYJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4S/c1-9-4-6(3-8-9)15(13,14)10(2)5-7(11)12/h3-4H,5H2,1-2H3,(H,11,12).
What are the key properties of 2-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]acetic acid?
2-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]acetic acid has a molecular weight of 233.25 g/mol, XLogP of -0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]acetic acid is sourced from PubChem (CID 43361158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).