N-(1-amino-2-methylbutan-2-yl)-N,1,2-trimethylimidazole-4-sulfonamide

C11H22N4O2S — CID 62061893

IUPACN-(1-amino-2-methylbutan-2-yl)-N,1,2-trimethylimidazole-4-sulfonamide
SMILESCCC(C)(CN)N(C)S(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C11H22N4O2S/c1-6-11(3,8-12)15(5)18(16,17)10-7-14(4)9(2)13-10/h7H,6,8,12H2,1-5H3
InChIKeyDDRDOJMFLHCBFV-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.48
Rot. Bonds5

About N-(1-amino-2-methylbutan-2-yl)-N,1,2-trimethylimidazole-4-sulfonamide

N-(1-amino-2-methylbutan-2-yl)-N,1,2-trimethylimidazole-4-sulfonamide (PubChem CID 62061893) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(1-amino-2-methylbutan-2-yl)-N,1,2-trimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)-N,1,2-trimethylimidazole-4-sulfonamide
PubChem CID62061893
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC NameN-(1-amino-2-methylbutan-2-yl)-N,1,2-trimethylimidazole-4-sulfonamide
SMILESCCC(C)(CN)N(C)S(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C11H22N4O2S/c1-6-11(3,8-12)15(5)18(16,17)10-7-14(4)9(2)13-10/h7H,6,8,12H2,1-5H3
InChIKeyDDRDOJMFLHCBFV-UHFFFAOYSA-N
XLogP0.48
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,2-dimethylimidazole-4-sulfonamide
CID 79387609
N-(2-aminoethyl)-N-ethyl-1,2-dimethylimidazole-4-sulfonamide
CID 62061368
2-[(1,2-dimethylimidazol-4-yl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 62818002
N-(1-amino-2-methylbutan-2-yl)-N,1-diethyl-2-methylimidazole-4-sulfonamide
CID 62062479
N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide
CID 62062481
N-[[4-(aminomethyl)phenyl]methyl]-N,1,2-trimethylimidazole-4-sulfonamide
CID 62062589
N-[1-(aminomethyl)cyclohexyl]-N,1,2-trimethylimidazole-4-sulfonamide
CID 62062769
N-(1-amino-2-methylbutan-2-yl)-N-ethyl-1-methylimidazole-4-sulfonamide
CID 62375781
2-[carboxymethyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]acetic acid
CID 63646589
N-(2-chloropropyl)-N,1,2-trimethylimidazole-4-sulfonamide
CID 63397074
N-(2-cyanoethyl)-N,1,2-trimethylimidazole-4-sulfonamide
CID 62062274
N-(1-amino-2-cyclopropylpropan-2-yl)-1,2-dimethylimidazole-4-sulfonamide
CID 113283535

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylbutan-2-yl)-N,1,2-trimethylimidazole-4-sulfonamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)-N,1,2-trimethylimidazole-4-sulfonamide (CID 62061893) is N-(1-amino-2-methylbutan-2-yl)-N,1,2-trimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)-N,1,2-trimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)-N,1,2-trimethylimidazole-4-sulfonamide is CCC(C)(CN)N(C)S(=O)(=O)c1cn(C)c(C)n1.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)-N,1,2-trimethylimidazole-4-sulfonamide?
The InChIKey is DDRDOJMFLHCBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-6-11(3,8-12)15(5)18(16,17)10-7-14(4)9(2)13-10/h7H,6,8,12H2,1-5H3.
What are the key properties of N-(1-amino-2-methylbutan-2-yl)-N,1,2-trimethylimidazole-4-sulfonamide?
N-(1-amino-2-methylbutan-2-yl)-N,1,2-trimethylimidazole-4-sulfonamide has a molecular weight of 274.39 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylbutan-2-yl)-N,1,2-trimethylimidazole-4-sulfonamide is sourced from PubChem (CID 62061893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).