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

C12H21ClN2O5S — CID 120664749

Data last refreshed: (MolForge compound catalog, from PubChem)

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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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).

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