5-methyl-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole

C11H19N3O2S — CID 110104284

IUPAC5-methyl-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole
SMILESCCCS(=O)(=O)N1CCCC1c1ncc(C)[nH]1
InChIInChI=1S/C11H19N3O2S/c1-3-7-17(15,16)14-6-4-5-10(14)11-12-8-9(2)13-11/h8,10H,3-7H2,1-2H3,(H,12,13)
InChIKeyLRMUNFJOHBBPDH-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.59
Rot. Bonds4

About 5-methyl-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole

5-methyl-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole (PubChem CID 110104284) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 5-methyl-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole.

Molecular Properties

Compound Name5-methyl-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole
PubChem CID110104284
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name5-methyl-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole
SMILESCCCS(=O)(=O)N1CCCC1c1ncc(C)[nH]1
InChIInChI=1S/C11H19N3O2S/c1-3-7-17(15,16)14-6-4-5-10(14)11-12-8-9(2)13-11/h8,10H,3-7H2,1-2H3,(H,12,13)
InChIKeyLRMUNFJOHBBPDH-UHFFFAOYSA-N
XLogP1.59
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole?
The IUPAC name of 5-methyl-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole (CID 110104284) is 5-methyl-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole.
What is the SMILES notation for 5-methyl-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole?
The canonical SMILES for 5-methyl-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole is CCCS(=O)(=O)N1CCCC1c1ncc(C)[nH]1.
What is the InChIKey of 5-methyl-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole?
The InChIKey is LRMUNFJOHBBPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-3-7-17(15,16)14-6-4-5-10(14)11-12-8-9(2)13-11/h8,10H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 5-methyl-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole?
5-methyl-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole has a molecular weight of 257.36 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-propylsulfonylpyrrolidin-2-yl)-1H-imidazole is sourced from PubChem (CID 110104284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).