2-ethyl-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole

C11H19N3O3S — CID 64596839

IUPAC2-ethyl-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole
SMILESCCc1ncc(S(=O)(=O)N2CCC(COC)C2)[nH]1
InChIInChI=1S/C11H19N3O3S/c1-3-10-12-6-11(13-10)18(15,16)14-5-4-9(7-14)8-17-2/h6,9H,3-5,7-8H2,1-2H3,(H,12,13)
InChIKeyNKQMCZVBJYCEBE-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.63
Rot. Bonds5

About 2-ethyl-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole

2-ethyl-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole (PubChem CID 64596839) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-ethyl-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole.

Molecular Properties

Compound Name2-ethyl-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole
PubChem CID64596839
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name2-ethyl-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole
SMILESCCc1ncc(S(=O)(=O)N2CCC(COC)C2)[nH]1
InChIInChI=1S/C11H19N3O3S/c1-3-10-12-6-11(13-10)18(15,16)14-5-4-9(7-14)8-17-2/h6,9H,3-5,7-8H2,1-2H3,(H,12,13)
InChIKeyNKQMCZVBJYCEBE-UHFFFAOYSA-N
XLogP0.63
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole?
The IUPAC name of 2-ethyl-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole (CID 64596839) is 2-ethyl-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole.
What is the SMILES notation for 2-ethyl-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole?
The canonical SMILES for 2-ethyl-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole is CCc1ncc(S(=O)(=O)N2CCC(COC)C2)[nH]1.
What is the InChIKey of 2-ethyl-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole?
The InChIKey is NKQMCZVBJYCEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-3-10-12-6-11(13-10)18(15,16)14-5-4-9(7-14)8-17-2/h6,9H,3-5,7-8H2,1-2H3,(H,12,13).
What are the key properties of 2-ethyl-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole?
2-ethyl-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole has a molecular weight of 273.36 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole is sourced from PubChem (CID 64596839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).