5-methyl-2-(1-methylsulfonylpyrrolidin-3-yl)-1-propylimidazole

C12H21N3O2S — CID 110203822

IUPAC5-methyl-2-(1-methylsulfonylpyrrolidin-3-yl)-1-propylimidazole
SMILESCCCn1c(C)cnc1C1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C12H21N3O2S/c1-4-6-15-10(2)8-13-12(15)11-5-7-14(9-11)18(3,16)17/h8,11H,4-7,9H2,1-3H3
InChIKeyWZDIJBZBHOCBSJ-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.35
Rot. Bonds4

About 5-methyl-2-(1-methylsulfonylpyrrolidin-3-yl)-1-propylimidazole

5-methyl-2-(1-methylsulfonylpyrrolidin-3-yl)-1-propylimidazole (PubChem CID 110203822) 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-propylimidazole.

Molecular Properties

Compound Name5-methyl-2-(1-methylsulfonylpyrrolidin-3-yl)-1-propylimidazole
PubChem CID110203822
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name5-methyl-2-(1-methylsulfonylpyrrolidin-3-yl)-1-propylimidazole
SMILESCCCn1c(C)cnc1C1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C12H21N3O2S/c1-4-6-15-10(2)8-13-12(15)11-5-7-14(9-11)18(3,16)17/h8,11H,4-7,9H2,1-3H3
InChIKeyWZDIJBZBHOCBSJ-UHFFFAOYSA-N
XLogP1.35
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.35
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-propylimidazole?
The IUPAC name of 5-methyl-2-(1-methylsulfonylpyrrolidin-3-yl)-1-propylimidazole (CID 110203822) is 5-methyl-2-(1-methylsulfonylpyrrolidin-3-yl)-1-propylimidazole.
What is the SMILES notation for 5-methyl-2-(1-methylsulfonylpyrrolidin-3-yl)-1-propylimidazole?
The canonical SMILES for 5-methyl-2-(1-methylsulfonylpyrrolidin-3-yl)-1-propylimidazole is CCCn1c(C)cnc1C1CCN(S(C)(=O)=O)C1.
What is the InChIKey of 5-methyl-2-(1-methylsulfonylpyrrolidin-3-yl)-1-propylimidazole?
The InChIKey is WZDIJBZBHOCBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-6-15-10(2)8-13-12(15)11-5-7-14(9-11)18(3,16)17/h8,11H,4-7,9H2,1-3H3.
What are the key properties of 5-methyl-2-(1-methylsulfonylpyrrolidin-3-yl)-1-propylimidazole?
5-methyl-2-(1-methylsulfonylpyrrolidin-3-yl)-1-propylimidazole has a molecular weight of 271.39 g/mol, XLogP of 1.35, 4 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-propylimidazole is sourced from PubChem (CID 110203822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).