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

C9H13N3O5S — CID 66238891

IUPAC4-[(1-methylimidazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid
SMILESCn1cnc(S(=O)(=O)NC2COCC2C(=O)O)c1
InChIInChI=1S/C9H13N3O5S/c1-12-2-8(10-5-12)18(15,16)11-7-4-17-3-6(7)9(13)14/h2,5-7,11H,3-4H2,1H3,(H,13,14)
InChIKeyFJFYJYADBPUFCL-UHFFFAOYSA-N
MW275.29 g/mol
LogP-1.20
Rot. Bonds4

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

4-[(1-methylimidazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid (PubChem CID 66238891) has the molecular formula C9H13N3O5S and a molecular weight of 275.29 g/mol. Its IUPAC name is 4-[(1-methylimidazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(1-methylimidazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid
PubChem CID66238891
Molecular FormulaC9H13N3O5S
Molecular Weight275.29 g/mol
Exact Mass275.06
IUPAC Name4-[(1-methylimidazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid
SMILESCn1cnc(S(=O)(=O)NC2COCC2C(=O)O)c1
InChIInChI=1S/C9H13N3O5S/c1-12-2-8(10-5-12)18(15,16)11-7-4-17-3-6(7)9(13)14/h2,5-7,11H,3-4H2,1H3,(H,13,14)
InChIKeyFJFYJYADBPUFCL-UHFFFAOYSA-N
XLogP-1.20
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylimidazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(1-methylimidazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid (CID 66238891) is 4-[(1-methylimidazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(1-methylimidazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(1-methylimidazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid is Cn1cnc(S(=O)(=O)NC2COCC2C(=O)O)c1.
What is the InChIKey of 4-[(1-methylimidazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid?
The InChIKey is FJFYJYADBPUFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5S/c1-12-2-8(10-5-12)18(15,16)11-7-4-17-3-6(7)9(13)14/h2,5-7,11H,3-4H2,1H3,(H,13,14).
What are the key properties of 4-[(1-methylimidazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid?
4-[(1-methylimidazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid has a molecular weight of 275.29 g/mol, XLogP of -1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylimidazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66238891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).