methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-methylfuran-2-carboxylate

C12H20N2O5S — CID 120664764

IUPACmethyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-methylfuran-2-carboxylate
SMILESCCN[C@H](C)CNS(=O)(=O)c1cc(C(=O)OC)oc1C
InChIInChI=1S/C12H20N2O5S/c1-5-13-8(2)7-14-20(16,17)11-6-10(12(15)18-4)19-9(11)3/h6,8,13-14H,5,7H2,1-4H3/t8-/m1/s1
InChIKeyJFKGYASOXOZJPN-MRVPVSSYSA-N
MW304.37 g/mol
LogP0.65
Rot. Bonds7

About methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-methylfuran-2-carboxylate

methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-methylfuran-2-carboxylate (PubChem CID 120664764) has the molecular formula C12H20N2O5S and a molecular weight of 304.37 g/mol. Its IUPAC name is methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-methylfuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-methylfuran-2-carboxylate
PubChem CID120664764
Molecular FormulaC12H20N2O5S
Molecular Weight304.37 g/mol
Exact Mass304.11
IUPAC Namemethyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-methylfuran-2-carboxylate
SMILESCCN[C@H](C)CNS(=O)(=O)c1cc(C(=O)OC)oc1C
InChIInChI=1S/C12H20N2O5S/c1-5-13-8(2)7-14-20(16,17)11-6-10(12(15)18-4)19-9(11)3/h6,8,13-14H,5,7H2,1-4H3/t8-/m1/s1
InChIKeyJFKGYASOXOZJPN-MRVPVSSYSA-N
XLogP0.65
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-methylfuran-2-carboxylate with MolForge

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Related Compounds

methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate
CID 120875856
methyl 5-methyl-4-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)sulfamoyl]furan-2-carboxylate
CID 120778384
methyl 5-methyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)furan-2-carboxylate
CID 120721777
ethyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]furan-2-carboxylate;hydrochloride
CID 120664749
N-[(2R)-2-(ethylamino)propyl]-2,4,5-trifluorobenzenesulfonamide
CID 120664616
methyl 4-(butylcarbamoylsulfamoyl)-5-methylfuran-2-carboxylate
CID 13090075
methyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-1,3-thiazole-4-carboxylate;hydrochloride
CID 120875849
N-[(2R)-2-(ethylamino)propyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 120713955
4-(3-ethoxypropylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 62803424
N-[(2R)-2-(ethylamino)propyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 120665116
5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120665143
5-(hydroxymethyl)-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide
CID 102701313

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-methylfuran-2-carboxylate?
The IUPAC name of methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-methylfuran-2-carboxylate (CID 120664764) is methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-methylfuran-2-carboxylate.
What is the SMILES notation for methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-methylfuran-2-carboxylate?
The canonical SMILES for methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-methylfuran-2-carboxylate is CCN[C@H](C)CNS(=O)(=O)c1cc(C(=O)OC)oc1C.
What is the InChIKey of methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-methylfuran-2-carboxylate?
The InChIKey is JFKGYASOXOZJPN-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H20N2O5S/c1-5-13-8(2)7-14-20(16,17)11-6-10(12(15)18-4)19-9(11)3/h6,8,13-14H,5,7H2,1-4H3/t8-/m1/s1.
What are the key properties of methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-methylfuran-2-carboxylate?
methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-methylfuran-2-carboxylate has a molecular weight of 304.37 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-methylfuran-2-carboxylate is sourced from PubChem (CID 120664764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).