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

C12H21N3O2S — CID 110203829

IUPAC5-methyl-2-(1-methylsulfonylpyrrolidin-3-yl)-1-propan-2-ylimidazole
SMILESCc1cnc(C2CCN(S(C)(=O)=O)C2)n1C(C)C
InChIInChI=1S/C12H21N3O2S/c1-9(2)15-10(3)7-13-12(15)11-5-6-14(8-11)18(4,16)17/h7,9,11H,5-6,8H2,1-4H3
InChIKeyVEUIRHAAHJZEQR-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.52
Rot. Bonds3

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

5-methyl-2-(1-methylsulfonylpyrrolidin-3-yl)-1-propan-2-ylimidazole (PubChem CID 110203829) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 5-methyl-2-(1-methylsulfonylpyrrolidin-3-yl)-1-propan-2-ylimidazole.

Molecular Properties

Compound Name5-methyl-2-(1-methylsulfonylpyrrolidin-3-yl)-1-propan-2-ylimidazole
PubChem CID110203829
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name5-methyl-2-(1-methylsulfonylpyrrolidin-3-yl)-1-propan-2-ylimidazole
SMILESCc1cnc(C2CCN(S(C)(=O)=O)C2)n1C(C)C
InChIInChI=1S/C12H21N3O2S/c1-9(2)15-10(3)7-13-12(15)11-5-6-14(8-11)18(4,16)17/h7,9,11H,5-6,8H2,1-4H3
InChIKeyVEUIRHAAHJZEQR-UHFFFAOYSA-N
XLogP1.52
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-methylsulfonylpyrrolidin-3-yl)-1-propan-2-ylimidazole?
The IUPAC name of 5-methyl-2-(1-methylsulfonylpyrrolidin-3-yl)-1-propan-2-ylimidazole (CID 110203829) is 5-methyl-2-(1-methylsulfonylpyrrolidin-3-yl)-1-propan-2-ylimidazole.
What is the SMILES notation for 5-methyl-2-(1-methylsulfonylpyrrolidin-3-yl)-1-propan-2-ylimidazole?
The canonical SMILES for 5-methyl-2-(1-methylsulfonylpyrrolidin-3-yl)-1-propan-2-ylimidazole is Cc1cnc(C2CCN(S(C)(=O)=O)C2)n1C(C)C.
What is the InChIKey of 5-methyl-2-(1-methylsulfonylpyrrolidin-3-yl)-1-propan-2-ylimidazole?
The InChIKey is VEUIRHAAHJZEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-9(2)15-10(3)7-13-12(15)11-5-6-14(8-11)18(4,16)17/h7,9,11H,5-6,8H2,1-4H3.
What are the key properties of 5-methyl-2-(1-methylsulfonylpyrrolidin-3-yl)-1-propan-2-ylimidazole?
5-methyl-2-(1-methylsulfonylpyrrolidin-3-yl)-1-propan-2-ylimidazole has a molecular weight of 271.39 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-methylsulfonylpyrrolidin-3-yl)-1-propan-2-ylimidazole is sourced from PubChem (CID 110203829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).