methyl 5-[(2-amino-1-cyclopropylethyl)sulfamoyl]furan-2-carboxylate

C11H16N2O5S — CID 119986857

IUPACmethyl 5-[(2-amino-1-cyclopropylethyl)sulfamoyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)NC(CN)C2CC2)o1
InChIInChI=1S/C11H16N2O5S/c1-17-11(14)9-4-5-10(18-9)19(15,16)13-8(6-12)7-2-3-7/h4-5,7-8,13H,2-3,6,12H2,1H3
InChIKeyJZCYTUOHVDANNZ-UHFFFAOYSA-N
MW288.32 g/mol
LogP0.08
Rot. Bonds6

About methyl 5-[(2-amino-1-cyclopropylethyl)sulfamoyl]furan-2-carboxylate

methyl 5-[(2-amino-1-cyclopropylethyl)sulfamoyl]furan-2-carboxylate (PubChem CID 119986857) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is methyl 5-[(2-amino-1-cyclopropylethyl)sulfamoyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-amino-1-cyclopropylethyl)sulfamoyl]furan-2-carboxylate
PubChem CID119986857
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Namemethyl 5-[(2-amino-1-cyclopropylethyl)sulfamoyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)NC(CN)C2CC2)o1
InChIInChI=1S/C11H16N2O5S/c1-17-11(14)9-4-5-10(18-9)19(15,16)13-8(6-12)7-2-3-7/h4-5,7-8,13H,2-3,6,12H2,1H3
InChIKeyJZCYTUOHVDANNZ-UHFFFAOYSA-N
XLogP0.08
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-amino-1-cyclopropylethyl)sulfamoyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(2-amino-1-cyclopropylethyl)sulfamoyl]furan-2-carboxylate (CID 119986857) is methyl 5-[(2-amino-1-cyclopropylethyl)sulfamoyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(2-amino-1-cyclopropylethyl)sulfamoyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(2-amino-1-cyclopropylethyl)sulfamoyl]furan-2-carboxylate is COC(=O)c1ccc(S(=O)(=O)NC(CN)C2CC2)o1.
What is the InChIKey of methyl 5-[(2-amino-1-cyclopropylethyl)sulfamoyl]furan-2-carboxylate?
The InChIKey is JZCYTUOHVDANNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-17-11(14)9-4-5-10(18-9)19(15,16)13-8(6-12)7-2-3-7/h4-5,7-8,13H,2-3,6,12H2,1H3.
What are the key properties of methyl 5-[(2-amino-1-cyclopropylethyl)sulfamoyl]furan-2-carboxylate?
methyl 5-[(2-amino-1-cyclopropylethyl)sulfamoyl]furan-2-carboxylate has a molecular weight of 288.32 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-amino-1-cyclopropylethyl)sulfamoyl]furan-2-carboxylate is sourced from PubChem (CID 119986857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).