4-[methyl(1H-pyrazol-4-ylsulfonyl)amino]oxolane-3-carboxylic acid

C9H13N3O5S — CID 66235763

IUPAC4-[methyl(1H-pyrazol-4-ylsulfonyl)amino]oxolane-3-carboxylic acid
SMILESCN(C1COCC1C(=O)O)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H13N3O5S/c1-12(8-5-17-4-7(8)9(13)14)18(15,16)6-2-10-11-3-6/h2-3,7-8H,4-5H2,1H3,(H,10,11)(H,13,14)
InChIKeyVTMDHOCQLRGBQW-UHFFFAOYSA-N
MW275.29 g/mol
LogP-0.87
Rot. Bonds4

About 4-[methyl(1H-pyrazol-4-ylsulfonyl)amino]oxolane-3-carboxylic acid

4-[methyl(1H-pyrazol-4-ylsulfonyl)amino]oxolane-3-carboxylic acid (PubChem CID 66235763) has the molecular formula C9H13N3O5S and a molecular weight of 275.29 g/mol. Its IUPAC name is 4-[methyl(1H-pyrazol-4-ylsulfonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(1H-pyrazol-4-ylsulfonyl)amino]oxolane-3-carboxylic acid
PubChem CID66235763
Molecular FormulaC9H13N3O5S
Molecular Weight275.29 g/mol
Exact Mass275.06
IUPAC Name4-[methyl(1H-pyrazol-4-ylsulfonyl)amino]oxolane-3-carboxylic acid
SMILESCN(C1COCC1C(=O)O)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H13N3O5S/c1-12(8-5-17-4-7(8)9(13)14)18(15,16)6-2-10-11-3-6/h2-3,7-8H,4-5H2,1H3,(H,10,11)(H,13,14)
InChIKeyVTMDHOCQLRGBQW-UHFFFAOYSA-N
XLogP-0.87
TPSA112.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(1H-pyrazol-4-ylsulfonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl(1H-pyrazol-4-ylsulfonyl)amino]oxolane-3-carboxylic acid (CID 66235763) is 4-[methyl(1H-pyrazol-4-ylsulfonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl(1H-pyrazol-4-ylsulfonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl(1H-pyrazol-4-ylsulfonyl)amino]oxolane-3-carboxylic acid is CN(C1COCC1C(=O)O)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of 4-[methyl(1H-pyrazol-4-ylsulfonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is VTMDHOCQLRGBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5S/c1-12(8-5-17-4-7(8)9(13)14)18(15,16)6-2-10-11-3-6/h2-3,7-8H,4-5H2,1H3,(H,10,11)(H,13,14).
What are the key properties of 4-[methyl(1H-pyrazol-4-ylsulfonyl)amino]oxolane-3-carboxylic acid?
4-[methyl(1H-pyrazol-4-ylsulfonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 275.29 g/mol, XLogP of -0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(1H-pyrazol-4-ylsulfonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66235763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).