1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one

C12H19N3O3S — CID 55030484

IUPAC1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one
SMILESCCCn1cc(S(=O)(=O)N2CCC(=O)CC2)nc1C
InChIInChI=1S/C12H19N3O3S/c1-3-6-14-9-12(13-10(14)2)19(17,18)15-7-4-11(16)5-8-15/h9H,3-8H2,1-2H3
InChIKeyGQSOAOURHANIEQ-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.96
Rot. Bonds4

About 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one

1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one (PubChem CID 55030484) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one.

Molecular Properties

Compound Name1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one
PubChem CID55030484
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one
SMILESCCCn1cc(S(=O)(=O)N2CCC(=O)CC2)nc1C
InChIInChI=1S/C12H19N3O3S/c1-3-6-14-9-12(13-10(14)2)19(17,18)15-7-4-11(16)5-8-15/h9H,3-8H2,1-2H3
InChIKeyGQSOAOURHANIEQ-UHFFFAOYSA-N
XLogP0.96
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one?
The IUPAC name of 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one (CID 55030484) is 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one.
What is the SMILES notation for 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one?
The canonical SMILES for 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one is CCCn1cc(S(=O)(=O)N2CCC(=O)CC2)nc1C.
What is the InChIKey of 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one?
The InChIKey is GQSOAOURHANIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-3-6-14-9-12(13-10(14)2)19(17,18)15-7-4-11(16)5-8-15/h9H,3-8H2,1-2H3.
What are the key properties of 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one?
1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one has a molecular weight of 285.37 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one is sourced from PubChem (CID 55030484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).