ethyl 3-[2-(1H-imidazol-5-yl)ethylsulfamoyl]propanoate

C10H17N3O4S — CID 65231099

IUPACethyl 3-[2-(1H-imidazol-5-yl)ethylsulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)NCCc1cnc[nH]1
InChIInChI=1S/C10H17N3O4S/c1-2-17-10(14)4-6-18(15,16)13-5-3-9-7-11-8-12-9/h7-8,13H,2-6H2,1H3,(H,11,12)
InChIKeyOICDHCQWGQAQDN-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.18
Rot. Bonds8

About ethyl 3-[2-(1H-imidazol-5-yl)ethylsulfamoyl]propanoate

ethyl 3-[2-(1H-imidazol-5-yl)ethylsulfamoyl]propanoate (PubChem CID 65231099) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is ethyl 3-[2-(1H-imidazol-5-yl)ethylsulfamoyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(1H-imidazol-5-yl)ethylsulfamoyl]propanoate
PubChem CID65231099
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Nameethyl 3-[2-(1H-imidazol-5-yl)ethylsulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)NCCc1cnc[nH]1
InChIInChI=1S/C10H17N3O4S/c1-2-17-10(14)4-6-18(15,16)13-5-3-9-7-11-8-12-9/h7-8,13H,2-6H2,1H3,(H,11,12)
InChIKeyOICDHCQWGQAQDN-UHFFFAOYSA-N
XLogP-0.18
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[2-(1H-imidazol-5-yl)ethylsulfamoyl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(1H-imidazol-5-yl)ethylsulfamoyl]propanoate?
The IUPAC name of ethyl 3-[2-(1H-imidazol-5-yl)ethylsulfamoyl]propanoate (CID 65231099) is ethyl 3-[2-(1H-imidazol-5-yl)ethylsulfamoyl]propanoate.
What is the SMILES notation for ethyl 3-[2-(1H-imidazol-5-yl)ethylsulfamoyl]propanoate?
The canonical SMILES for ethyl 3-[2-(1H-imidazol-5-yl)ethylsulfamoyl]propanoate is CCOC(=O)CCS(=O)(=O)NCCc1cnc[nH]1.
What is the InChIKey of ethyl 3-[2-(1H-imidazol-5-yl)ethylsulfamoyl]propanoate?
The InChIKey is OICDHCQWGQAQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-2-17-10(14)4-6-18(15,16)13-5-3-9-7-11-8-12-9/h7-8,13H,2-6H2,1H3,(H,11,12).
What are the key properties of ethyl 3-[2-(1H-imidazol-5-yl)ethylsulfamoyl]propanoate?
ethyl 3-[2-(1H-imidazol-5-yl)ethylsulfamoyl]propanoate has a molecular weight of 275.33 g/mol, XLogP of -0.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(1H-imidazol-5-yl)ethylsulfamoyl]propanoate is sourced from PubChem (CID 65231099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).