2-methyl-N-(2-methylpropyl)-1-propylimidazole-4-sulfonamide

C11H21N3O2S — CID 64592125

IUPAC2-methyl-N-(2-methylpropyl)-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC(C)C)nc1C
InChIInChI=1S/C11H21N3O2S/c1-5-6-14-8-11(13-10(14)4)17(15,16)12-7-9(2)3/h8-9,12H,5-7H2,1-4H3
InChIKeyRUMILLZCHZQHNU-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.54
Rot. Bonds6

About 2-methyl-N-(2-methylpropyl)-1-propylimidazole-4-sulfonamide

2-methyl-N-(2-methylpropyl)-1-propylimidazole-4-sulfonamide (PubChem CID 64592125) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-1-propylimidazole-4-sulfonamide
PubChem CID64592125
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name2-methyl-N-(2-methylpropyl)-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC(C)C)nc1C
InChIInChI=1S/C11H21N3O2S/c1-5-6-14-8-11(13-10(14)4)17(15,16)12-7-9(2)3/h8-9,12H,5-7H2,1-4H3
InChIKeyRUMILLZCHZQHNU-UHFFFAOYSA-N
XLogP1.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-1-propylimidazole-4-sulfonamide?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-1-propylimidazole-4-sulfonamide (CID 64592125) is 2-methyl-N-(2-methylpropyl)-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-1-propylimidazole-4-sulfonamide?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NCC(C)C)nc1C.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-1-propylimidazole-4-sulfonamide?
The InChIKey is RUMILLZCHZQHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-5-6-14-8-11(13-10(14)4)17(15,16)12-7-9(2)3/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-1-propylimidazole-4-sulfonamide?
2-methyl-N-(2-methylpropyl)-1-propylimidazole-4-sulfonamide has a molecular weight of 259.37 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 64592125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).