N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(methylsulfamoyl)furan-3-carboxamide;hydrochloride

C12H20ClN3O4S — CID 119615923

IUPACN-(2-amino-1-cyclopropylethyl)-2-methyl-5-(methylsulfamoyl)furan-3-carboxamide;hydrochloride
SMILESCNS(=O)(=O)c1cc(C(=O)NC(CN)C2CC2)c(C)o1.Cl
InChIInChI=1S/C12H19N3O4S.ClH/c1-7-9(5-11(19-7)20(17,18)14-2)12(16)15-10(6-13)8-3-4-8;/h5,8,10,14H,3-4,6,13H2,1-2H3,(H,15,16);1H
InChIKeyDAKHYNHIBXYKID-UHFFFAOYSA-N
MW337.83 g/mol
LogP0.39
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(methylsulfamoyl)furan-3-carboxamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(methylsulfamoyl)furan-3-carboxamide;hydrochloride (PubChem CID 119615923) has the molecular formula C12H20ClN3O4S and a molecular weight of 337.83 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(methylsulfamoyl)furan-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-methyl-5-(methylsulfamoyl)furan-3-carboxamide;hydrochloride
PubChem CID119615923
Molecular FormulaC12H20ClN3O4S
Molecular Weight337.83 g/mol
Exact Mass337.09
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-methyl-5-(methylsulfamoyl)furan-3-carboxamide;hydrochloride
SMILESCNS(=O)(=O)c1cc(C(=O)NC(CN)C2CC2)c(C)o1.Cl
InChIInChI=1S/C12H19N3O4S.ClH/c1-7-9(5-11(19-7)20(17,18)14-2)12(16)15-10(6-13)8-3-4-8;/h5,8,10,14H,3-4,6,13H2,1-2H3,(H,15,16);1H
InChIKeyDAKHYNHIBXYKID-UHFFFAOYSA-N
XLogP0.39
TPSA114.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methylbenzamide
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N-(2-amino-1-cyclohexylethyl)-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(methylsulfamoyl)furan-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(methylsulfamoyl)furan-3-carboxamide;hydrochloride (CID 119615923) is N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(methylsulfamoyl)furan-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(methylsulfamoyl)furan-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(methylsulfamoyl)furan-3-carboxamide;hydrochloride is CNS(=O)(=O)c1cc(C(=O)NC(CN)C2CC2)c(C)o1.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(methylsulfamoyl)furan-3-carboxamide;hydrochloride?
The InChIKey is DAKHYNHIBXYKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S.ClH/c1-7-9(5-11(19-7)20(17,18)14-2)12(16)15-10(6-13)8-3-4-8;/h5,8,10,14H,3-4,6,13H2,1-2H3,(H,15,16);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(methylsulfamoyl)furan-3-carboxamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(methylsulfamoyl)furan-3-carboxamide;hydrochloride has a molecular weight of 337.83 g/mol, XLogP of 0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(methylsulfamoyl)furan-3-carboxamide;hydrochloride is sourced from PubChem (CID 119615923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).