methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate

C13H22N2O5S — CID 120875856

IUPACmethyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate
SMILESCCN[C@H](C)CNS(=O)(=O)c1c(C)oc(C)c1C(=O)OC
InChIInChI=1S/C13H22N2O5S/c1-6-14-8(2)7-15-21(17,18)12-10(4)20-9(3)11(12)13(16)19-5/h8,14-15H,6-7H2,1-5H3/t8-/m1/s1
InChIKeyPQCDRMFZDVSQLU-MRVPVSSYSA-N
MW318.40 g/mol
LogP0.96
Rot. Bonds7

About methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate

methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate (PubChem CID 120875856) has the molecular formula C13H22N2O5S and a molecular weight of 318.40 g/mol. Its IUPAC name is methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate
PubChem CID120875856
Molecular FormulaC13H22N2O5S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Namemethyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate
SMILESCCN[C@H](C)CNS(=O)(=O)c1c(C)oc(C)c1C(=O)OC
InChIInChI=1S/C13H22N2O5S/c1-6-14-8(2)7-15-21(17,18)12-10(4)20-9(3)11(12)13(16)19-5/h8,14-15H,6-7H2,1-5H3/t8-/m1/s1
InChIKeyPQCDRMFZDVSQLU-MRVPVSSYSA-N
XLogP0.96
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The IUPAC name of methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate (CID 120875856) is methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate is CCN[C@H](C)CNS(=O)(=O)c1c(C)oc(C)c1C(=O)OC.
What is the InChIKey of methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The InChIKey is PQCDRMFZDVSQLU-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H22N2O5S/c1-6-14-8(2)7-15-21(17,18)12-10(4)20-9(3)11(12)13(16)19-5/h8,14-15H,6-7H2,1-5H3/t8-/m1/s1.
What are the key properties of methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate has a molecular weight of 318.40 g/mol, XLogP of 0.96, 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]-2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 120875856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).