4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid

C10H15N3O5S — CID 79372670

IUPAC4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid
SMILESCCn1cnc(S(=O)(=O)N2CCOC(C(=O)O)C2)c1
InChIInChI=1S/C10H15N3O5S/c1-2-12-6-9(11-7-12)19(16,17)13-3-4-18-8(5-13)10(14)15/h6-8H,2-5H2,1H3,(H,14,15)
InChIKeyBFBMRWHXDZDSIA-UHFFFAOYSA-N
MW289.31 g/mol
LogP-0.62
Rot. Bonds4

About 4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid

4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid (PubChem CID 79372670) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is 4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid
PubChem CID79372670
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Name4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid
SMILESCCn1cnc(S(=O)(=O)N2CCOC(C(=O)O)C2)c1
InChIInChI=1S/C10H15N3O5S/c1-2-12-6-9(11-7-12)19(16,17)13-3-4-18-8(5-13)10(14)15/h6-8H,2-5H2,1H3,(H,14,15)
InChIKeyBFBMRWHXDZDSIA-UHFFFAOYSA-N
XLogP-0.62
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid?
The IUPAC name of 4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid (CID 79372670) is 4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid.
What is the SMILES notation for 4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid?
The canonical SMILES for 4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid is CCn1cnc(S(=O)(=O)N2CCOC(C(=O)O)C2)c1.
What is the InChIKey of 4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid?
The InChIKey is BFBMRWHXDZDSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5S/c1-2-12-6-9(11-7-12)19(16,17)13-3-4-18-8(5-13)10(14)15/h6-8H,2-5H2,1H3,(H,14,15).
What are the key properties of 4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid?
4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid has a molecular weight of 289.31 g/mol, XLogP of -0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid is sourced from PubChem (CID 79372670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).