ethyl 5-(pyrrolidin-2-ylmethylsulfamoyl)furan-2-carboxylate

C12H18N2O5S — CID 119974281

IUPACethyl 5-(pyrrolidin-2-ylmethylsulfamoyl)furan-2-carboxylate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NCC2CCCN2)o1
InChIInChI=1S/C12H18N2O5S/c1-2-18-12(15)10-5-6-11(19-10)20(16,17)14-8-9-4-3-7-13-9/h5-6,9,13-14H,2-4,7-8H2,1H3
InChIKeyYBAWDJJTFKJHKF-UHFFFAOYSA-N
MW302.35 g/mol
LogP0.49
Rot. Bonds6

About ethyl 5-(pyrrolidin-2-ylmethylsulfamoyl)furan-2-carboxylate

ethyl 5-(pyrrolidin-2-ylmethylsulfamoyl)furan-2-carboxylate (PubChem CID 119974281) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is ethyl 5-(pyrrolidin-2-ylmethylsulfamoyl)furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(pyrrolidin-2-ylmethylsulfamoyl)furan-2-carboxylate
PubChem CID119974281
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Nameethyl 5-(pyrrolidin-2-ylmethylsulfamoyl)furan-2-carboxylate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NCC2CCCN2)o1
InChIInChI=1S/C12H18N2O5S/c1-2-18-12(15)10-5-6-11(19-10)20(16,17)14-8-9-4-3-7-13-9/h5-6,9,13-14H,2-4,7-8H2,1H3
InChIKeyYBAWDJJTFKJHKF-UHFFFAOYSA-N
XLogP0.49
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(piperidin-3-ylsulfamoyl)furan-2-carboxylate
CID 119964317
ethyl 5-(piperidin-4-ylsulfamoyl)furan-2-carboxylate
CID 119960606
ethyl 4-methyl-3-(pyrrolidin-2-ylmethylsulfamoyl)benzoate
CID 120708944
ethyl 5-[(2-amino-2-cyclopropylethyl)sulfamoyl]furan-2-carboxylate
CID 120582735
ethyl 5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]furan-2-carboxylate
CID 120896379
ethyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]furan-2-carboxylate;hydrochloride
CID 120664749
methyl 4-methyl-3-(pyrrolidin-2-ylmethylsulfamoyl)benzoate
CID 62541476
5-ethoxycarbonylfuran-2-sulfonate
CID 3837677
ethyl 4-(pyrrolidin-2-ylmethylamino)benzoate
CID 106636876
ethyl 5-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)sulfamoyl]furan-2-carboxylate;hydrochloride
CID 120778569
4-chloro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 55084488
ethyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]furan-2-carboxylate
CID 122141670

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(pyrrolidin-2-ylmethylsulfamoyl)furan-2-carboxylate?
The IUPAC name of ethyl 5-(pyrrolidin-2-ylmethylsulfamoyl)furan-2-carboxylate (CID 119974281) is ethyl 5-(pyrrolidin-2-ylmethylsulfamoyl)furan-2-carboxylate.
What is the SMILES notation for ethyl 5-(pyrrolidin-2-ylmethylsulfamoyl)furan-2-carboxylate?
The canonical SMILES for ethyl 5-(pyrrolidin-2-ylmethylsulfamoyl)furan-2-carboxylate is CCOC(=O)c1ccc(S(=O)(=O)NCC2CCCN2)o1.
What is the InChIKey of ethyl 5-(pyrrolidin-2-ylmethylsulfamoyl)furan-2-carboxylate?
The InChIKey is YBAWDJJTFKJHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-2-18-12(15)10-5-6-11(19-10)20(16,17)14-8-9-4-3-7-13-9/h5-6,9,13-14H,2-4,7-8H2,1H3.
What are the key properties of ethyl 5-(pyrrolidin-2-ylmethylsulfamoyl)furan-2-carboxylate?
ethyl 5-(pyrrolidin-2-ylmethylsulfamoyl)furan-2-carboxylate has a molecular weight of 302.35 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(pyrrolidin-2-ylmethylsulfamoyl)furan-2-carboxylate is sourced from PubChem (CID 119974281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).