4-(1-ethyl-2-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid

C11H17N3O5S — CID 62065141

IUPAC4-(1-ethyl-2-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)N2CCOC(C(=O)O)C2)nc1C
InChIInChI=1S/C11H17N3O5S/c1-3-13-7-10(12-8(13)2)20(17,18)14-4-5-19-9(6-14)11(15)16/h7,9H,3-6H2,1-2H3,(H,15,16)
InChIKeyXVEKUPJQMTUOLZ-UHFFFAOYSA-N
MW303.34 g/mol
LogP-0.31
Rot. Bonds4

About 4-(1-ethyl-2-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid

4-(1-ethyl-2-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid (PubChem CID 62065141) has the molecular formula C11H17N3O5S and a molecular weight of 303.34 g/mol. Its IUPAC name is 4-(1-ethyl-2-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-ethyl-2-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid
PubChem CID62065141
Molecular FormulaC11H17N3O5S
Molecular Weight303.34 g/mol
Exact Mass303.09
IUPAC Name4-(1-ethyl-2-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)N2CCOC(C(=O)O)C2)nc1C
InChIInChI=1S/C11H17N3O5S/c1-3-13-7-10(12-8(13)2)20(17,18)14-4-5-19-9(6-14)11(15)16/h7,9H,3-6H2,1-2H3,(H,15,16)
InChIKeyXVEKUPJQMTUOLZ-UHFFFAOYSA-N
XLogP-0.31
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-2-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid?
The IUPAC name of 4-(1-ethyl-2-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid (CID 62065141) is 4-(1-ethyl-2-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid.
What is the SMILES notation for 4-(1-ethyl-2-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid?
The canonical SMILES for 4-(1-ethyl-2-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid is CCn1cc(S(=O)(=O)N2CCOC(C(=O)O)C2)nc1C.
What is the InChIKey of 4-(1-ethyl-2-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid?
The InChIKey is XVEKUPJQMTUOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S/c1-3-13-7-10(12-8(13)2)20(17,18)14-4-5-19-9(6-14)11(15)16/h7,9H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 4-(1-ethyl-2-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid?
4-(1-ethyl-2-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid has a molecular weight of 303.34 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-2-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid is sourced from PubChem (CID 62065141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).