methyl 5-[(2-sulfamoylethylamino)methyl]furan-3-carboxylate

C9H14N2O5S — CID 104608224

IUPACmethyl 5-[(2-sulfamoylethylamino)methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNCCS(N)(=O)=O)c1
InChIInChI=1S/C9H14N2O5S/c1-15-9(12)7-4-8(16-6-7)5-11-2-3-17(10,13)14/h4,6,11H,2-3,5H2,1H3,(H2,10,13,14)
InChIKeyVSDHCAODCKZRKC-UHFFFAOYSA-N
MW262.29 g/mol
LogP-0.56
Rot. Bonds6

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

methyl 5-[(2-sulfamoylethylamino)methyl]furan-3-carboxylate (PubChem CID 104608224) has the molecular formula C9H14N2O5S and a molecular weight of 262.29 g/mol. Its IUPAC name is methyl 5-[(2-sulfamoylethylamino)methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-sulfamoylethylamino)methyl]furan-3-carboxylate
PubChem CID104608224
Molecular FormulaC9H14N2O5S
Molecular Weight262.29 g/mol
Exact Mass262.06
IUPAC Namemethyl 5-[(2-sulfamoylethylamino)methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNCCS(N)(=O)=O)c1
InChIInChI=1S/C9H14N2O5S/c1-15-9(12)7-4-8(16-6-7)5-11-2-3-17(10,13)14/h4,6,11H,2-3,5H2,1H3,(H2,10,13,14)
InChIKeyVSDHCAODCKZRKC-UHFFFAOYSA-N
XLogP-0.56
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-[[2-(ethylsulfamoyl)ethylamino]methyl]furan-3-carboxylate
CID 104586193
methyl 5-[(2-cyclopropylethylamino)methyl]furan-3-carboxylate
CID 104586453
methyl 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-3-carboxylate
CID 104585806
methyl 5-[(2-cyanoethylamino)methyl]furan-3-carboxylate
CID 104608135
methyl 5-[[[3-(dimethylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylate
CID 104586143
methyl 5-[(2-butoxyethylamino)methyl]furan-3-carboxylate
CID 104586125
methyl 4-[(2-sulfamoylethylamino)methyl]benzoate
CID 43551871
methyl 5-[[2-(oxolan-2-yl)ethylamino]methyl]furan-3-carboxylate
CID 104585942
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 5-[(4-sulfamoylanilino)methyl]furan-3-carboxylate
CID 104607981
methyl 5-[(2-thiophen-3-ylethylamino)methyl]furan-3-carboxylate
CID 104585912

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-sulfamoylethylamino)methyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[(2-sulfamoylethylamino)methyl]furan-3-carboxylate (CID 104608224) is methyl 5-[(2-sulfamoylethylamino)methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[(2-sulfamoylethylamino)methyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[(2-sulfamoylethylamino)methyl]furan-3-carboxylate is COC(=O)c1coc(CNCCS(N)(=O)=O)c1.
What is the InChIKey of methyl 5-[(2-sulfamoylethylamino)methyl]furan-3-carboxylate?
The InChIKey is VSDHCAODCKZRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5S/c1-15-9(12)7-4-8(16-6-7)5-11-2-3-17(10,13)14/h4,6,11H,2-3,5H2,1H3,(H2,10,13,14).
What are the key properties of methyl 5-[(2-sulfamoylethylamino)methyl]furan-3-carboxylate?
methyl 5-[(2-sulfamoylethylamino)methyl]furan-3-carboxylate has a molecular weight of 262.29 g/mol, XLogP of -0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-sulfamoylethylamino)methyl]furan-3-carboxylate is sourced from PubChem (CID 104608224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).