ethyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]furan-2-carboxylate;hydrochloride

C12H21ClN2O5S — CID 120664749

IUPACethyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]furan-2-carboxylate;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1ccc(C(=O)OCC)o1.Cl
InChIInChI=1S/C12H20N2O5S.ClH/c1-4-13-9(3)8-14-20(16,17)11-7-6-10(19-11)12(15)18-5-2;/h6-7,9,13-14H,4-5,8H2,1-3H3;1H/t9-;/m1./s1
InChIKeyBSEVYOCLYZJAEF-SBSPUUFOSA-N
MW340.83 g/mol
LogP1.15
Rot. Bonds8

About ethyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]furan-2-carboxylate;hydrochloride

ethyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]furan-2-carboxylate;hydrochloride (PubChem CID 120664749) has the molecular formula C12H21ClN2O5S and a molecular weight of 340.83 g/mol. Its IUPAC name is ethyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]furan-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]furan-2-carboxylate;hydrochloride
PubChem CID120664749
Molecular FormulaC12H21ClN2O5S
Molecular Weight340.83 g/mol
Exact Mass340.09
IUPAC Nameethyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]furan-2-carboxylate;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1ccc(C(=O)OCC)o1.Cl
InChIInChI=1S/C12H20N2O5S.ClH/c1-4-13-9(3)8-14-20(16,17)11-7-6-10(19-11)12(15)18-5-2;/h6-7,9,13-14H,4-5,8H2,1-3H3;1H/t9-;/m1./s1
InChIKeyBSEVYOCLYZJAEF-SBSPUUFOSA-N
XLogP1.15
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[(2-amino-2-cyclopropylethyl)sulfamoyl]furan-2-carboxylate
CID 120582735
ethyl 5-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)sulfamoyl]furan-2-carboxylate;hydrochloride
CID 120778569
ethyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-2-carboxylate;hydrochloride
CID 120717695
ethyl 5-[(1-amino-4-methylpentan-2-yl)sulfamoyl]furan-2-carboxylate
CID 119983242
ethyl 5-(piperidin-4-ylsulfamoyl)furan-2-carboxylate
CID 119960606
5-ethoxycarbonylfuran-2-sulfonate
CID 3837677
methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-methylfuran-2-carboxylate
CID 120664764
ethyl 5-(pyrrolidin-2-ylmethylsulfamoyl)furan-2-carboxylate
CID 119974281
ethyl 3-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-fluorobenzoate;hydrochloride
CID 120664775
ethyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]furan-2-carboxylate
CID 122141670
ethyl 5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]furan-2-carboxylate
CID 120896379
5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 107216107

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]furan-2-carboxylate;hydrochloride?
The IUPAC name of ethyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]furan-2-carboxylate;hydrochloride (CID 120664749) is ethyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]furan-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]furan-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]furan-2-carboxylate;hydrochloride is CCN[C@H](C)CNS(=O)(=O)c1ccc(C(=O)OCC)o1.Cl.
What is the InChIKey of ethyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]furan-2-carboxylate;hydrochloride?
The InChIKey is BSEVYOCLYZJAEF-SBSPUUFOSA-N. The full InChI is InChI=1S/C12H20N2O5S.ClH/c1-4-13-9(3)8-14-20(16,17)11-7-6-10(19-11)12(15)18-5-2;/h6-7,9,13-14H,4-5,8H2,1-3H3;1H/t9-;/m1./s1.
What are the key properties of ethyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]furan-2-carboxylate;hydrochloride?
ethyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]furan-2-carboxylate;hydrochloride has a molecular weight of 340.83 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]furan-2-carboxylate;hydrochloride is sourced from PubChem (CID 120664749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).