N-ethyl-2-methyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide

C11H21N3O2S — CID 79470177

IUPACN-ethyl-2-methyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1cnc(C)[nH]1
InChIInChI=1S/C11H21N3O2S/c1-5-9(3)8-14(6-2)17(15,16)11-7-12-10(4)13-11/h7,9H,5-6,8H2,1-4H3,(H,12,13)
InChIKeyUVCMCFJTFNKPOG-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.77
Rot. Bonds6

About N-ethyl-2-methyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide

N-ethyl-2-methyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide (PubChem CID 79470177) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide
PubChem CID79470177
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC NameN-ethyl-2-methyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1cnc(C)[nH]1
InChIInChI=1S/C11H21N3O2S/c1-5-9(3)8-14(6-2)17(15,16)11-7-12-10(4)13-11/h7,9H,5-6,8H2,1-4H3,(H,12,13)
InChIKeyUVCMCFJTFNKPOG-UHFFFAOYSA-N
XLogP1.77
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-ethyl-2-methyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide (CID 79470177) is N-ethyl-2-methyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-ethyl-2-methyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-ethyl-2-methyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide is CCC(C)CN(CC)S(=O)(=O)c1cnc(C)[nH]1.
What is the InChIKey of N-ethyl-2-methyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide?
The InChIKey is UVCMCFJTFNKPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-5-9(3)8-14(6-2)17(15,16)11-7-12-10(4)13-11/h7,9H,5-6,8H2,1-4H3,(H,12,13).
What are the key properties of N-ethyl-2-methyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide?
N-ethyl-2-methyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide has a molecular weight of 259.37 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 79470177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).