ethyl 5-[(2-amino-2-cyclopropylethyl)sulfamoyl]furan-2-carboxylate

C12H18N2O5S — CID 120582735

IUPACethyl 5-[(2-amino-2-cyclopropylethyl)sulfamoyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NCC(N)C2CC2)o1
InChIInChI=1S/C12H18N2O5S/c1-2-18-12(15)10-5-6-11(19-10)20(16,17)14-7-9(13)8-3-4-8/h5-6,8-9,14H,2-4,7,13H2,1H3
InChIKeyVYLVFVWSLYBIIZ-UHFFFAOYSA-N
MW302.35 g/mol
LogP0.47
Rot. Bonds7

About ethyl 5-[(2-amino-2-cyclopropylethyl)sulfamoyl]furan-2-carboxylate

ethyl 5-[(2-amino-2-cyclopropylethyl)sulfamoyl]furan-2-carboxylate (PubChem CID 120582735) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is ethyl 5-[(2-amino-2-cyclopropylethyl)sulfamoyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-amino-2-cyclopropylethyl)sulfamoyl]furan-2-carboxylate
PubChem CID120582735
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Nameethyl 5-[(2-amino-2-cyclopropylethyl)sulfamoyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NCC(N)C2CC2)o1
InChIInChI=1S/C12H18N2O5S/c1-2-18-12(15)10-5-6-11(19-10)20(16,17)14-7-9(13)8-3-4-8/h5-6,8-9,14H,2-4,7,13H2,1H3
InChIKeyVYLVFVWSLYBIIZ-UHFFFAOYSA-N
XLogP0.47
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-amino-2-cyclopropylethyl)sulfamoyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[(2-amino-2-cyclopropylethyl)sulfamoyl]furan-2-carboxylate (CID 120582735) is ethyl 5-[(2-amino-2-cyclopropylethyl)sulfamoyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[(2-amino-2-cyclopropylethyl)sulfamoyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[(2-amino-2-cyclopropylethyl)sulfamoyl]furan-2-carboxylate is CCOC(=O)c1ccc(S(=O)(=O)NCC(N)C2CC2)o1.
What is the InChIKey of ethyl 5-[(2-amino-2-cyclopropylethyl)sulfamoyl]furan-2-carboxylate?
The InChIKey is VYLVFVWSLYBIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-2-18-12(15)10-5-6-11(19-10)20(16,17)14-7-9(13)8-3-4-8/h5-6,8-9,14H,2-4,7,13H2,1H3.
What are the key properties of ethyl 5-[(2-amino-2-cyclopropylethyl)sulfamoyl]furan-2-carboxylate?
ethyl 5-[(2-amino-2-cyclopropylethyl)sulfamoyl]furan-2-carboxylate has a molecular weight of 302.35 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-amino-2-cyclopropylethyl)sulfamoyl]furan-2-carboxylate is sourced from PubChem (CID 120582735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).