3-(1H-pyrazol-4-ylsulfonylamino)oxolane-3-carboxylic acid

C8H11N3O5S — CID 64889437

IUPAC3-(1H-pyrazol-4-ylsulfonylamino)oxolane-3-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2cn[nH]c2)CCOC1
InChIInChI=1S/C8H11N3O5S/c12-7(13)8(1-2-16-5-8)11-17(14,15)6-3-9-10-4-6/h3-4,11H,1-2,5H2,(H,9,10)(H,12,13)
InChIKeyXMBSYSPFEVDQEW-UHFFFAOYSA-N
MW261.26 g/mol
LogP-1.07
Rot. Bonds4

About 3-(1H-pyrazol-4-ylsulfonylamino)oxolane-3-carboxylic acid

3-(1H-pyrazol-4-ylsulfonylamino)oxolane-3-carboxylic acid (PubChem CID 64889437) has the molecular formula C8H11N3O5S and a molecular weight of 261.26 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-ylsulfonylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(1H-pyrazol-4-ylsulfonylamino)oxolane-3-carboxylic acid
PubChem CID64889437
Molecular FormulaC8H11N3O5S
Molecular Weight261.26 g/mol
Exact Mass261.04
IUPAC Name3-(1H-pyrazol-4-ylsulfonylamino)oxolane-3-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2cn[nH]c2)CCOC1
InChIInChI=1S/C8H11N3O5S/c12-7(13)8(1-2-16-5-8)11-17(14,15)6-3-9-10-4-6/h3-4,11H,1-2,5H2,(H,9,10)(H,12,13)
InChIKeyXMBSYSPFEVDQEW-UHFFFAOYSA-N
XLogP-1.07
TPSA121.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-ylsulfonylamino)oxolane-3-carboxylic acid?
The IUPAC name of 3-(1H-pyrazol-4-ylsulfonylamino)oxolane-3-carboxylic acid (CID 64889437) is 3-(1H-pyrazol-4-ylsulfonylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(1H-pyrazol-4-ylsulfonylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(1H-pyrazol-4-ylsulfonylamino)oxolane-3-carboxylic acid is O=C(O)C1(NS(=O)(=O)c2cn[nH]c2)CCOC1.
What is the InChIKey of 3-(1H-pyrazol-4-ylsulfonylamino)oxolane-3-carboxylic acid?
The InChIKey is XMBSYSPFEVDQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O5S/c12-7(13)8(1-2-16-5-8)11-17(14,15)6-3-9-10-4-6/h3-4,11H,1-2,5H2,(H,9,10)(H,12,13).
What are the key properties of 3-(1H-pyrazol-4-ylsulfonylamino)oxolane-3-carboxylic acid?
3-(1H-pyrazol-4-ylsulfonylamino)oxolane-3-carboxylic acid has a molecular weight of 261.26 g/mol, XLogP of -1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-ylsulfonylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 64889437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).