N-(2-amino-2-ethylbutyl)-1-methylimidazole-4-sulfonamide

C10H20N4O2S — CID 84591328

IUPACN-(2-amino-2-ethylbutyl)-1-methylimidazole-4-sulfonamide
SMILESCCC(N)(CC)CNS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C10H20N4O2S/c1-4-10(11,5-2)7-13-17(15,16)9-6-14(3)8-12-9/h6,8,13H,4-5,7,11H2,1-3H3
InChIKeyBOKUXMNUMZIHBZ-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.22
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-1-methylimidazole-4-sulfonamide

N-(2-amino-2-ethylbutyl)-1-methylimidazole-4-sulfonamide (PubChem CID 84591328) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-1-methylimidazole-4-sulfonamide
PubChem CID84591328
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC NameN-(2-amino-2-ethylbutyl)-1-methylimidazole-4-sulfonamide
SMILESCCC(N)(CC)CNS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C10H20N4O2S/c1-4-10(11,5-2)7-13-17(15,16)9-6-14(3)8-12-9/h6,8,13H,4-5,7,11H2,1-3H3
InChIKeyBOKUXMNUMZIHBZ-UHFFFAOYSA-N
XLogP0.22
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-1-methylimidazole-4-sulfonamide (CID 84591328) is N-(2-amino-2-ethylbutyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-1-methylimidazole-4-sulfonamide is CCC(N)(CC)CNS(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is BOKUXMNUMZIHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-4-10(11,5-2)7-13-17(15,16)9-6-14(3)8-12-9/h6,8,13H,4-5,7,11H2,1-3H3.
What are the key properties of N-(2-amino-2-ethylbutyl)-1-methylimidazole-4-sulfonamide?
N-(2-amino-2-ethylbutyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 84591328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).