4-[2-(2-aminopropan-2-yl)-1H-imidazol-5-yl]-N,N-dimethylbenzenesulfonamide

C14H20N4O2S — CID 65459578

IUPAC4-[2-(2-aminopropan-2-yl)-1H-imidazol-5-yl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2cnc(C(C)(C)N)[nH]2)cc1
InChIInChI=1S/C14H20N4O2S/c1-14(2,15)13-16-9-12(17-13)10-5-7-11(8-6-10)21(19,20)18(3)4/h5-9H,15H2,1-4H3,(H,16,17)
InChIKeyIXPYOXLZDSNIQM-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.52
Rot. Bonds4

About 4-[2-(2-aminopropan-2-yl)-1H-imidazol-5-yl]-N,N-dimethylbenzenesulfonamide

4-[2-(2-aminopropan-2-yl)-1H-imidazol-5-yl]-N,N-dimethylbenzenesulfonamide (PubChem CID 65459578) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-[2-(2-aminopropan-2-yl)-1H-imidazol-5-yl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(2-aminopropan-2-yl)-1H-imidazol-5-yl]-N,N-dimethylbenzenesulfonamide
PubChem CID65459578
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name4-[2-(2-aminopropan-2-yl)-1H-imidazol-5-yl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2cnc(C(C)(C)N)[nH]2)cc1
InChIInChI=1S/C14H20N4O2S/c1-14(2,15)13-16-9-12(17-13)10-5-7-11(8-6-10)21(19,20)18(3)4/h5-9H,15H2,1-4H3,(H,16,17)
InChIKeyIXPYOXLZDSNIQM-UHFFFAOYSA-N
XLogP1.52
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-2-amine
CID 65457057
4-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide
CID 59667875
2-[5-(2-bromophenyl)-1H-imidazol-2-yl]propan-2-amine
CID 65458906
3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-3-amine
CID 79812866
4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 16784503
4-[2-[4-(5-methoxy-3-pyridinyl)-2-pyridinyl]-1H-imidazol-5-yl]-N,N-dimethylbenzenesulfonamide;2,2,2-trifluoroacetic acid
CID 129315696
5-(4-ethylsulfonylphenyl)-1H-imidazole-2-carbonitrile
CID 116879916
[6-amino-5-[4-(dimethylsulfamoyl)phenyl]-3-pyridinyl]boronic acid
CID 164859735
CID 90391328
CID 90391328
2-methyl-2-(5-pyridin-4-yl-1H-imidazol-2-yl)propanoic acid
CID 116878722
bis(5-(4-bromophenyl)-1H-imidazol-2-amine);sulfuric acid
CID 121229057
N,N-dimethyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide
CID 118538456

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminopropan-2-yl)-1H-imidazol-5-yl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[2-(2-aminopropan-2-yl)-1H-imidazol-5-yl]-N,N-dimethylbenzenesulfonamide (CID 65459578) is 4-[2-(2-aminopropan-2-yl)-1H-imidazol-5-yl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(2-aminopropan-2-yl)-1H-imidazol-5-yl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[2-(2-aminopropan-2-yl)-1H-imidazol-5-yl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(-c2cnc(C(C)(C)N)[nH]2)cc1.
What is the InChIKey of 4-[2-(2-aminopropan-2-yl)-1H-imidazol-5-yl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is IXPYOXLZDSNIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-14(2,15)13-16-9-12(17-13)10-5-7-11(8-6-10)21(19,20)18(3)4/h5-9H,15H2,1-4H3,(H,16,17).
What are the key properties of 4-[2-(2-aminopropan-2-yl)-1H-imidazol-5-yl]-N,N-dimethylbenzenesulfonamide?
4-[2-(2-aminopropan-2-yl)-1H-imidazol-5-yl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminopropan-2-yl)-1H-imidazol-5-yl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 65459578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).