methyl 5-[[2-(ethylsulfamoyl)ethylamino]methyl]furan-3-carboxylate

C11H18N2O5S — CID 104586193

IUPACmethyl 5-[[2-(ethylsulfamoyl)ethylamino]methyl]furan-3-carboxylate
SMILESCCNS(=O)(=O)CCNCc1cc(C(=O)OC)co1
InChIInChI=1S/C11H18N2O5S/c1-3-13-19(15,16)5-4-12-7-10-6-9(8-18-10)11(14)17-2/h6,8,12-13H,3-5,7H2,1-2H3
InChIKeyPWXCQBRNPSAKKV-UHFFFAOYSA-N
MW290.34 g/mol
LogP0.10
Rot. Bonds8

About methyl 5-[[2-(ethylsulfamoyl)ethylamino]methyl]furan-3-carboxylate

methyl 5-[[2-(ethylsulfamoyl)ethylamino]methyl]furan-3-carboxylate (PubChem CID 104586193) has the molecular formula C11H18N2O5S and a molecular weight of 290.34 g/mol. Its IUPAC name is methyl 5-[[2-(ethylsulfamoyl)ethylamino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(ethylsulfamoyl)ethylamino]methyl]furan-3-carboxylate
PubChem CID104586193
Molecular FormulaC11H18N2O5S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC Namemethyl 5-[[2-(ethylsulfamoyl)ethylamino]methyl]furan-3-carboxylate
SMILESCCNS(=O)(=O)CCNCc1cc(C(=O)OC)co1
InChIInChI=1S/C11H18N2O5S/c1-3-13-19(15,16)5-4-12-7-10-6-9(8-18-10)11(14)17-2/h6,8,12-13H,3-5,7H2,1-2H3
InChIKeyPWXCQBRNPSAKKV-UHFFFAOYSA-N
XLogP0.10
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 5-[[2-(ethylsulfamoyl)ethylamino]methyl]furan-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 5-[(2-sulfamoylethylamino)methyl]furan-3-carboxylate
CID 104608224
methyl 5-[(2-butoxyethylamino)methyl]furan-3-carboxylate
CID 104586125
methyl 5-[(2-cyanoethylamino)methyl]furan-3-carboxylate
CID 104608135
methyl 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-3-carboxylate
CID 104585806
methyl 5-[[[3-(dimethylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylate
CID 104586143
methyl 5-[(2-cyclopropylethylamino)methyl]furan-3-carboxylate
CID 104586453
methyl 5-ethylfuran-3-carboxylate
CID 23661323
methyl 5-[[[3-oxo-3-(propan-2-ylamino)propyl]amino]methyl]furan-3-carboxylate
CID 104585949
methyl 5-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]furan-3-carboxylate
CID 104586166
methyl 2-[[2-(ethylsulfamoyl)ethylamino]methyl]benzoate
CID 103922739
methyl 5-[[(1-methylcyclobutyl)methylamino]methyl]furan-3-carboxylate
CID 104586478
methyl 5-[[2-(2-methoxyphenyl)ethylamino]methyl]furan-3-carboxylate
CID 104585813

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(ethylsulfamoyl)ethylamino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[[2-(ethylsulfamoyl)ethylamino]methyl]furan-3-carboxylate (CID 104586193) is methyl 5-[[2-(ethylsulfamoyl)ethylamino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[[2-(ethylsulfamoyl)ethylamino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[[2-(ethylsulfamoyl)ethylamino]methyl]furan-3-carboxylate is CCNS(=O)(=O)CCNCc1cc(C(=O)OC)co1.
What is the InChIKey of methyl 5-[[2-(ethylsulfamoyl)ethylamino]methyl]furan-3-carboxylate?
The InChIKey is PWXCQBRNPSAKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S/c1-3-13-19(15,16)5-4-12-7-10-6-9(8-18-10)11(14)17-2/h6,8,12-13H,3-5,7H2,1-2H3.
What are the key properties of methyl 5-[[2-(ethylsulfamoyl)ethylamino]methyl]furan-3-carboxylate?
methyl 5-[[2-(ethylsulfamoyl)ethylamino]methyl]furan-3-carboxylate has a molecular weight of 290.34 g/mol, XLogP of 0.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(ethylsulfamoyl)ethylamino]methyl]furan-3-carboxylate is sourced from PubChem (CID 104586193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).