2-(1-ethylsulfonylpyrrolidin-3-yl)-5-methyl-1-propan-2-ylimidazole

C13H23N3O2S — CID 110203828

IUPAC2-(1-ethylsulfonylpyrrolidin-3-yl)-5-methyl-1-propan-2-ylimidazole
SMILESCCS(=O)(=O)N1CCC(c2ncc(C)n2C(C)C)C1
InChIInChI=1S/C13H23N3O2S/c1-5-19(17,18)15-7-6-12(9-15)13-14-8-11(4)16(13)10(2)3/h8,10,12H,5-7,9H2,1-4H3
InChIKeyKEQYBQLYVLWGKA-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.91
Rot. Bonds4

About 2-(1-ethylsulfonylpyrrolidin-3-yl)-5-methyl-1-propan-2-ylimidazole

2-(1-ethylsulfonylpyrrolidin-3-yl)-5-methyl-1-propan-2-ylimidazole (PubChem CID 110203828) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-(1-ethylsulfonylpyrrolidin-3-yl)-5-methyl-1-propan-2-ylimidazole.

Molecular Properties

Compound Name2-(1-ethylsulfonylpyrrolidin-3-yl)-5-methyl-1-propan-2-ylimidazole
PubChem CID110203828
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name2-(1-ethylsulfonylpyrrolidin-3-yl)-5-methyl-1-propan-2-ylimidazole
SMILESCCS(=O)(=O)N1CCC(c2ncc(C)n2C(C)C)C1
InChIInChI=1S/C13H23N3O2S/c1-5-19(17,18)15-7-6-12(9-15)13-14-8-11(4)16(13)10(2)3/h8,10,12H,5-7,9H2,1-4H3
InChIKeyKEQYBQLYVLWGKA-UHFFFAOYSA-N
XLogP1.91
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylsulfonylpyrrolidin-3-yl)-5-methyl-1-propan-2-ylimidazole?
The IUPAC name of 2-(1-ethylsulfonylpyrrolidin-3-yl)-5-methyl-1-propan-2-ylimidazole (CID 110203828) is 2-(1-ethylsulfonylpyrrolidin-3-yl)-5-methyl-1-propan-2-ylimidazole.
What is the SMILES notation for 2-(1-ethylsulfonylpyrrolidin-3-yl)-5-methyl-1-propan-2-ylimidazole?
The canonical SMILES for 2-(1-ethylsulfonylpyrrolidin-3-yl)-5-methyl-1-propan-2-ylimidazole is CCS(=O)(=O)N1CCC(c2ncc(C)n2C(C)C)C1.
What is the InChIKey of 2-(1-ethylsulfonylpyrrolidin-3-yl)-5-methyl-1-propan-2-ylimidazole?
The InChIKey is KEQYBQLYVLWGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-5-19(17,18)15-7-6-12(9-15)13-14-8-11(4)16(13)10(2)3/h8,10,12H,5-7,9H2,1-4H3.
What are the key properties of 2-(1-ethylsulfonylpyrrolidin-3-yl)-5-methyl-1-propan-2-ylimidazole?
2-(1-ethylsulfonylpyrrolidin-3-yl)-5-methyl-1-propan-2-ylimidazole has a molecular weight of 285.41 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylsulfonylpyrrolidin-3-yl)-5-methyl-1-propan-2-ylimidazole is sourced from PubChem (CID 110203828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).