ethyl 5-amino-1-[2-(ethylsulfamoyl)ethyl]imidazole-4-carboxylate

C10H18N4O4S — CID 106338375

IUPACethyl 5-amino-1-[2-(ethylsulfamoyl)ethyl]imidazole-4-carboxylate
SMILESCCNS(=O)(=O)CCn1cnc(C(=O)OCC)c1N
InChIInChI=1S/C10H18N4O4S/c1-3-13-19(16,17)6-5-14-7-12-8(9(14)11)10(15)18-4-2/h7,13H,3-6,11H2,1-2H3
InChIKeyMQOUFNUSBMOQJA-UHFFFAOYSA-N
MW290.35 g/mol
LogP-0.42
Rot. Bonds7

About ethyl 5-amino-1-[2-(ethylsulfamoyl)ethyl]imidazole-4-carboxylate

ethyl 5-amino-1-[2-(ethylsulfamoyl)ethyl]imidazole-4-carboxylate (PubChem CID 106338375) has the molecular formula C10H18N4O4S and a molecular weight of 290.35 g/mol. Its IUPAC name is ethyl 5-amino-1-[2-(ethylsulfamoyl)ethyl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-[2-(ethylsulfamoyl)ethyl]imidazole-4-carboxylate
PubChem CID106338375
Molecular FormulaC10H18N4O4S
Molecular Weight290.35 g/mol
Exact Mass290.10
IUPAC Nameethyl 5-amino-1-[2-(ethylsulfamoyl)ethyl]imidazole-4-carboxylate
SMILESCCNS(=O)(=O)CCn1cnc(C(=O)OCC)c1N
InChIInChI=1S/C10H18N4O4S/c1-3-13-19(16,17)6-5-14-7-12-8(9(14)11)10(15)18-4-2/h7,13H,3-6,11H2,1-2H3
InChIKeyMQOUFNUSBMOQJA-UHFFFAOYSA-N
XLogP-0.42
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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ethyl 5-amino-1-[2-(1-methylpiperidin-4-yl)ethyl]imidazole-4-carboxylate
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methyl 5-amino-1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-[2-(ethylsulfamoyl)ethyl]imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-[2-(ethylsulfamoyl)ethyl]imidazole-4-carboxylate (CID 106338375) is ethyl 5-amino-1-[2-(ethylsulfamoyl)ethyl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-[2-(ethylsulfamoyl)ethyl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-[2-(ethylsulfamoyl)ethyl]imidazole-4-carboxylate is CCNS(=O)(=O)CCn1cnc(C(=O)OCC)c1N.
What is the InChIKey of ethyl 5-amino-1-[2-(ethylsulfamoyl)ethyl]imidazole-4-carboxylate?
The InChIKey is MQOUFNUSBMOQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4S/c1-3-13-19(16,17)6-5-14-7-12-8(9(14)11)10(15)18-4-2/h7,13H,3-6,11H2,1-2H3.
What are the key properties of ethyl 5-amino-1-[2-(ethylsulfamoyl)ethyl]imidazole-4-carboxylate?
ethyl 5-amino-1-[2-(ethylsulfamoyl)ethyl]imidazole-4-carboxylate has a molecular weight of 290.35 g/mol, XLogP of -0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-[2-(ethylsulfamoyl)ethyl]imidazole-4-carboxylate is sourced from PubChem (CID 106338375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).