N-(1-amino-2-methylbutan-2-yl)-N-ethyl-1-methylimidazole-4-sulfonamide

C11H22N4O2S — CID 62375781

IUPACN-(1-amino-2-methylbutan-2-yl)-N-ethyl-1-methylimidazole-4-sulfonamide
SMILESCCN(C(C)(CC)CN)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C11H22N4O2S/c1-5-11(3,8-12)15(6-2)18(16,17)10-7-14(4)9-13-10/h7,9H,5-6,8,12H2,1-4H3
InChIKeyLQRQEKZKPWKRCA-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.56
Rot. Bonds6

About N-(1-amino-2-methylbutan-2-yl)-N-ethyl-1-methylimidazole-4-sulfonamide

N-(1-amino-2-methylbutan-2-yl)-N-ethyl-1-methylimidazole-4-sulfonamide (PubChem CID 62375781) 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-ethyl-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)-N-ethyl-1-methylimidazole-4-sulfonamide
PubChem CID62375781
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC NameN-(1-amino-2-methylbutan-2-yl)-N-ethyl-1-methylimidazole-4-sulfonamide
SMILESCCN(C(C)(CC)CN)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C11H22N4O2S/c1-5-11(3,8-12)15(6-2)18(16,17)10-7-14(4)9-13-10/h7,9H,5-6,8,12H2,1-4H3
InChIKeyLQRQEKZKPWKRCA-UHFFFAOYSA-N
XLogP0.56
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-1H-imidazole-4-sulfonamide
CID 2736885
1H-Imidazole-4-sulfonamide, 1-(1-methylethyl)-
CID 71757215
4-methyl-1'-((1-methyl-1H-imidazol-4-yl)sulfonyl)-1,4'-bipiperidine
CID 118308389
1,2-dimethyl-1H-imidazole-4-sulfonamide
CID 2758563
1-methyl-1H-imidazole-5-sulfonamide
CID 18971486
N,N,1-trimethyl-1H-imidazole-4-sulfonamide
CID 47002931
1-butan-2-yl-N,N-dimethylimidazole-4-sulfonamide
CID 71969893
7-Ethyl-2-(1-methylimidazol-4-yl)sulfonyl-2,7-diazaspiro[3.4]octane
CID 97392923
2-(1-Methylimidazol-4-yl)sulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.4]octane
CID 97472658
1-(propan-2-yl)-1H-imidazole-4-sulfonyl chloride
CID 54595262
1-(2-methylpropyl)-1H-imidazole-4-sulfonyl chloride
CID 54595593
1H-Imidazole-4-sulfonamide, 1-(2-methylpropyl)-
CID 75356295

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylbutan-2-yl)-N-ethyl-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)-N-ethyl-1-methylimidazole-4-sulfonamide (CID 62375781) is N-(1-amino-2-methylbutan-2-yl)-N-ethyl-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)-N-ethyl-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)-N-ethyl-1-methylimidazole-4-sulfonamide is CCN(C(C)(CC)CN)S(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)-N-ethyl-1-methylimidazole-4-sulfonamide?
The InChIKey is LQRQEKZKPWKRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-5-11(3,8-12)15(6-2)18(16,17)10-7-14(4)9-13-10/h7,9H,5-6,8,12H2,1-4H3.
What are the key properties of N-(1-amino-2-methylbutan-2-yl)-N-ethyl-1-methylimidazole-4-sulfonamide?
N-(1-amino-2-methylbutan-2-yl)-N-ethyl-1-methylimidazole-4-sulfonamide has a molecular weight of 274.39 g/mol, XLogP of 0.56, 6 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-ethyl-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 62375781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).