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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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).