4-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]oxane-4-carboxylic acid

C11H17N3O5S — CID 115291980

IUPAC4-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]oxane-4-carboxylic acid
SMILESCCc1ncc(S(=O)(=O)NC2(C(=O)O)CCOCC2)[nH]1
InChIInChI=1S/C11H17N3O5S/c1-2-8-12-7-9(13-8)20(17,18)14-11(10(15)16)3-5-19-6-4-11/h7,14H,2-6H2,1H3,(H,12,13)(H,15,16)
InChIKeyBZBPLGIFLKJNRP-UHFFFAOYSA-N
MW303.34 g/mol
LogP-0.12
Rot. Bonds5

About 4-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]oxane-4-carboxylic acid

4-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]oxane-4-carboxylic acid (PubChem CID 115291980) has the molecular formula C11H17N3O5S and a molecular weight of 303.34 g/mol. Its IUPAC name is 4-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]oxane-4-carboxylic acid
PubChem CID115291980
Molecular FormulaC11H17N3O5S
Molecular Weight303.34 g/mol
Exact Mass303.09
IUPAC Name4-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]oxane-4-carboxylic acid
SMILESCCc1ncc(S(=O)(=O)NC2(C(=O)O)CCOCC2)[nH]1
InChIInChI=1S/C11H17N3O5S/c1-2-8-12-7-9(13-8)20(17,18)14-11(10(15)16)3-5-19-6-4-11/h7,14H,2-6H2,1H3,(H,12,13)(H,15,16)
InChIKeyBZBPLGIFLKJNRP-UHFFFAOYSA-N
XLogP-0.12
TPSA121.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]oxane-4-carboxylic acid?
The IUPAC name of 4-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]oxane-4-carboxylic acid (CID 115291980) is 4-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]oxane-4-carboxylic acid is CCc1ncc(S(=O)(=O)NC2(C(=O)O)CCOCC2)[nH]1.
What is the InChIKey of 4-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]oxane-4-carboxylic acid?
The InChIKey is BZBPLGIFLKJNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S/c1-2-8-12-7-9(13-8)20(17,18)14-11(10(15)16)3-5-19-6-4-11/h7,14H,2-6H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 4-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]oxane-4-carboxylic acid?
4-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]oxane-4-carboxylic acid has a molecular weight of 303.34 g/mol, XLogP of -0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]oxane-4-carboxylic acid is sourced from PubChem (CID 115291980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).