5-(dimethylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide

C12H21N3O4S — CID 119434335

IUPAC5-(dimethylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide
SMILESCNCCCNC(=O)c1cc(S(=O)(=O)N(C)C)oc1C
InChIInChI=1S/C12H21N3O4S/c1-9-10(12(16)14-7-5-6-13-2)8-11(19-9)20(17,18)15(3)4/h8,13H,5-7H2,1-4H3,(H,14,16)
InChIKeyNJGHRBQYKKWVJY-UHFFFAOYSA-N
MW303.38 g/mol
LogP0.18
Rot. Bonds7

About 5-(dimethylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide

5-(dimethylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide (PubChem CID 119434335) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide
PubChem CID119434335
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC Name5-(dimethylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide
SMILESCNCCCNC(=O)c1cc(S(=O)(=O)N(C)C)oc1C
InChIInChI=1S/C12H21N3O4S/c1-9-10(12(16)14-7-5-6-13-2)8-11(19-9)20(17,18)15(3)4/h8,13H,5-7H2,1-4H3,(H,14,16)
InChIKeyNJGHRBQYKKWVJY-UHFFFAOYSA-N
XLogP0.18
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide?
The IUPAC name of 5-(dimethylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide (CID 119434335) is 5-(dimethylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide is CNCCCNC(=O)c1cc(S(=O)(=O)N(C)C)oc1C.
What is the InChIKey of 5-(dimethylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide?
The InChIKey is NJGHRBQYKKWVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-9-10(12(16)14-7-5-6-13-2)8-11(19-9)20(17,18)15(3)4/h8,13H,5-7H2,1-4H3,(H,14,16).
What are the key properties of 5-(dimethylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide?
5-(dimethylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide has a molecular weight of 303.38 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide is sourced from PubChem (CID 119434335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).