4-[ethyl-(1-methylpyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid

C11H17N3O5S — CID 66247039

IUPAC4-[ethyl-(1-methylpyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid
SMILESCCN(C1COCC1C(=O)O)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C11H17N3O5S/c1-3-14(10-7-19-6-9(10)11(15)16)20(17,18)8-4-12-13(2)5-8/h4-5,9-10H,3,6-7H2,1-2H3,(H,15,16)
InChIKeyOYBCYIZZVKMLTQ-UHFFFAOYSA-N
MW303.34 g/mol
LogP-0.47
Rot. Bonds5

About 4-[ethyl-(1-methylpyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid

4-[ethyl-(1-methylpyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid (PubChem CID 66247039) has the molecular formula C11H17N3O5S and a molecular weight of 303.34 g/mol. Its IUPAC name is 4-[ethyl-(1-methylpyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-(1-methylpyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid
PubChem CID66247039
Molecular FormulaC11H17N3O5S
Molecular Weight303.34 g/mol
Exact Mass303.09
IUPAC Name4-[ethyl-(1-methylpyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid
SMILESCCN(C1COCC1C(=O)O)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C11H17N3O5S/c1-3-14(10-7-19-6-9(10)11(15)16)20(17,18)8-4-12-13(2)5-8/h4-5,9-10H,3,6-7H2,1-2H3,(H,15,16)
InChIKeyOYBCYIZZVKMLTQ-UHFFFAOYSA-N
XLogP-0.47
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[ethyl-(4-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 66245653
4-[(2,5-dichlorothiophen-3-yl)sulfonyl-ethylamino]oxolane-3-carboxylic acid
CID 66246843
2-[cyclopentyl-(1-methylpyrazol-4-yl)sulfonylamino]acetic acid
CID 60829977
2-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]acetic acid
CID 43361158
4-[ethyl(2-methylpropylsulfonyl)amino]oxolane-3-carboxylic acid
CID 66247631
4-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]oxolane-3-carboxylic acid
CID 66245265
4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 79595785
4-[diethylsulfamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253595
4-[1-(1,3-dimethylpyrazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid
CID 66245332
4-[(1,5-dimethylpyrazole-4-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66252239
4-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]oxolane-3-carboxylic acid
CID 66245064
4-[propyl(propylsulfonyl)amino]oxolane-3-carboxylic acid
CID 66253214

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(1-methylpyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-(1-methylpyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid (CID 66247039) is 4-[ethyl-(1-methylpyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-(1-methylpyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-(1-methylpyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid is CCN(C1COCC1C(=O)O)S(=O)(=O)c1cnn(C)c1.
What is the InChIKey of 4-[ethyl-(1-methylpyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid?
The InChIKey is OYBCYIZZVKMLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S/c1-3-14(10-7-19-6-9(10)11(15)16)20(17,18)8-4-12-13(2)5-8/h4-5,9-10H,3,6-7H2,1-2H3,(H,15,16).
What are the key properties of 4-[ethyl-(1-methylpyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid?
4-[ethyl-(1-methylpyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid has a molecular weight of 303.34 g/mol, XLogP of -0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(1-methylpyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66247039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).