N-(1-amino-2-methylpropan-2-yl)-1-(2-methylpropyl)imidazole-4-sulfonamide

C11H22N4O2S — CID 119975645

IUPACN-(1-amino-2-methylpropan-2-yl)-1-(2-methylpropyl)imidazole-4-sulfonamide
SMILESCC(C)Cn1cnc(S(=O)(=O)NC(C)(C)CN)c1
InChIInChI=1S/C11H22N4O2S/c1-9(2)5-15-6-10(13-8-15)18(16,17)14-11(3,4)7-12/h6,8-9,14H,5,7,12H2,1-4H3
InChIKeySHVYMIACIIRSDF-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.55
Rot. Bonds6

About N-(1-amino-2-methylpropan-2-yl)-1-(2-methylpropyl)imidazole-4-sulfonamide

N-(1-amino-2-methylpropan-2-yl)-1-(2-methylpropyl)imidazole-4-sulfonamide (PubChem CID 119975645) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-1-(2-methylpropyl)imidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-1-(2-methylpropyl)imidazole-4-sulfonamide
PubChem CID119975645
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-1-(2-methylpropyl)imidazole-4-sulfonamide
SMILESCC(C)Cn1cnc(S(=O)(=O)NC(C)(C)CN)c1
InChIInChI=1S/C11H22N4O2S/c1-9(2)5-15-6-10(13-8-15)18(16,17)14-11(3,4)7-12/h6,8-9,14H,5,7,12H2,1-4H3
InChIKeySHVYMIACIIRSDF-UHFFFAOYSA-N
XLogP0.55
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-1-(2-methylpropyl)imidazole-4-sulfonamide
CID 119981388
N-[2-(methylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide
CID 119973176
N-(2-amino-1-cyclohexylethyl)-1-(2-methylpropyl)imidazole-4-sulfonamide;hydrochloride
CID 119983755
N-[2-(2-methoxyethylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide;hydrochloride
CID 120717685
1-methyl-N-(2-methylbutan-2-yl)imidazole-4-sulfonamide
CID 46345219
1-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)imidazole-4-sulfonamide
CID 103931311
N-(1-chloro-2-methylpropan-2-yl)-1-methylimidazole-4-sulfonamide
CID 65033444
1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)imidazole-4-sulfonamide;dihydrochloride
CID 119994593
3,3-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride
CID 120779629
1-(2-methylpropyl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazole-4-sulfonamide
CID 126788486
1-(2-methylpropyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazole-4-sulfonamide
CID 167991524
N-(1-amino-2-methylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 120709265

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1-(2-methylpropyl)imidazole-4-sulfonamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1-(2-methylpropyl)imidazole-4-sulfonamide (CID 119975645) is N-(1-amino-2-methylpropan-2-yl)-1-(2-methylpropyl)imidazole-4-sulfonamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-1-(2-methylpropyl)imidazole-4-sulfonamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-1-(2-methylpropyl)imidazole-4-sulfonamide is CC(C)Cn1cnc(S(=O)(=O)NC(C)(C)CN)c1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-1-(2-methylpropyl)imidazole-4-sulfonamide?
The InChIKey is SHVYMIACIIRSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-9(2)5-15-6-10(13-8-15)18(16,17)14-11(3,4)7-12/h6,8-9,14H,5,7,12H2,1-4H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-1-(2-methylpropyl)imidazole-4-sulfonamide?
N-(1-amino-2-methylpropan-2-yl)-1-(2-methylpropyl)imidazole-4-sulfonamide has a molecular weight of 274.39 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-1-(2-methylpropyl)imidazole-4-sulfonamide is sourced from PubChem (CID 119975645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).