N-(benzylsulfamoyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-amine

C16H24N4O2S — CID 56867771

IUPACN-(benzylsulfamoyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)C(Cn1ccnc1)NS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C16H24N4O2S/c1-16(2,3)15(12-20-10-9-17-13-20)19-23(21,22)18-11-14-7-5-4-6-8-14/h4-10,13,15,18-19H,11-12H2,1-3H3
InChIKeyVRKFPCSMMIYDPF-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.92
Rot. Bonds7

About N-(benzylsulfamoyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-amine

N-(benzylsulfamoyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-amine (PubChem CID 56867771) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-(benzylsulfamoyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-(benzylsulfamoyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
PubChem CID56867771
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC NameN-(benzylsulfamoyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)C(Cn1ccnc1)NS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C16H24N4O2S/c1-16(2,3)15(12-20-10-9-17-13-20)19-23(21,22)18-11-14-7-5-4-6-8-14/h4-10,13,15,18-19H,11-12H2,1-3H3
InChIKeyVRKFPCSMMIYDPF-UHFFFAOYSA-N
XLogP1.92
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 81242155
N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-2,3-dihydro-1H-inden-2-amine
CID 93276734
3-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
CID 75373604
1-imidazol-1-yl-3,3-dimethyl-N-propylbutan-2-amine
CID 43749580
N-(1-imidazol-1-ylbutan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 131934723
N-[(3-bromo-4-fluorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
CID 43749540
N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)benzenesulfonamide
CID 62152924
N-(2-imidazol-1-ylethyl)-3-phenylpropane-1-sulfonamide
CID 140993552
methyl 2-benzyl-3-imidazol-1-ylpropanoate
CID 15018129
N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-4-(methoxymethyl)benzamide
CID 95050216
3-imidazo[1,2-a]pyridin-2-yl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)propanamide
CID 74247075
N-[(4-methylphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1488551

Frequently Asked Questions

What is the IUPAC name of N-(benzylsulfamoyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-amine?
The IUPAC name of N-(benzylsulfamoyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-amine (CID 56867771) is N-(benzylsulfamoyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-amine.
What is the SMILES notation for N-(benzylsulfamoyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-amine?
The canonical SMILES for N-(benzylsulfamoyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-amine is CC(C)(C)C(Cn1ccnc1)NS(=O)(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylsulfamoyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-amine?
The InChIKey is VRKFPCSMMIYDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-16(2,3)15(12-20-10-9-17-13-20)19-23(21,22)18-11-14-7-5-4-6-8-14/h4-10,13,15,18-19H,11-12H2,1-3H3.
What are the key properties of N-(benzylsulfamoyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-amine?
N-(benzylsulfamoyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-amine has a molecular weight of 336.46 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylsulfamoyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 56867771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).