N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride

C12H22ClN3O4S — CID 119656968

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(C(=O)N(C)CC(C)(C)CN)o1.Cl
InChIInChI=1S/C12H21N3O4S.ClH/c1-12(2,7-13)8-15(4)11(16)9-5-6-10(19-9)20(17,18)14-3;/h5-6,14H,7-8,13H2,1-4H3;1H
InChIKeyNHKNAHKAQJWUBF-UHFFFAOYSA-N
MW339.85 g/mol
LogP0.67
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride (PubChem CID 119656968) has the molecular formula C12H22ClN3O4S and a molecular weight of 339.85 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride
PubChem CID119656968
Molecular FormulaC12H22ClN3O4S
Molecular Weight339.85 g/mol
Exact Mass339.10
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(C(=O)N(C)CC(C)(C)CN)o1.Cl
InChIInChI=1S/C12H21N3O4S.ClH/c1-12(2,7-13)8-15(4)11(16)9-5-6-10(19-9)20(17,18)14-3;/h5-6,14H,7-8,13H2,1-4H3;1H
InChIKeyNHKNAHKAQJWUBF-UHFFFAOYSA-N
XLogP0.67
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride
CID 119661236
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(sulfamoylmethyl)benzamide;hydrochloride
CID 119652729
N-[2-(dimethylamino)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 110476323
N-(3-amino-2,2-dimethylpropyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 119652390
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide
CID 39934885
N-cyclooctyl-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide
CID 71934799
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide
CID 119656163
N-ethyl-N-methyl-5-sulfamoylfuran-2-carboxamide
CID 154833223
N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119653576
5-(methylsulfamoyl)-N-(3,3,3-trifluoropropyl)furan-2-carboxamide
CID 112527770
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propylsulfonylamino)benzamide;hydrochloride
CID 119654023
2-[butan-2-yl-[5-(methylsulfamoyl)furan-2-carbonyl]amino]acetic acid
CID 119954468

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride (CID 119656968) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride is CNS(=O)(=O)c1ccc(C(=O)N(C)CC(C)(C)CN)o1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride?
The InChIKey is NHKNAHKAQJWUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S.ClH/c1-12(2,7-13)8-15(4)11(16)9-5-6-10(19-9)20(17,18)14-3;/h5-6,14H,7-8,13H2,1-4H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride has a molecular weight of 339.85 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119656968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).