1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-one

C10H15N3O3S — CID 62061931

IUPAC1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-one
SMILESCc1nc(S(=O)(=O)N2CCC(=O)CC2)cn1C
InChIInChI=1S/C10H15N3O3S/c1-8-11-10(7-12(8)2)17(15,16)13-5-3-9(14)4-6-13/h7H,3-6H2,1-2H3
InChIKeyHRRCKPYUPWQTAD-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.08
Rot. Bonds2

About 1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-one

1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-one (PubChem CID 62061931) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-one.

Molecular Properties

Compound Name1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-one
PubChem CID62061931
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-one
SMILESCc1nc(S(=O)(=O)N2CCC(=O)CC2)cn1C
InChIInChI=1S/C10H15N3O3S/c1-8-11-10(7-12(8)2)17(15,16)13-5-3-9(14)4-6-13/h7H,3-6H2,1-2H3
InChIKeyHRRCKPYUPWQTAD-UHFFFAOYSA-N
XLogP0.08
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-one?
The IUPAC name of 1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-one (CID 62061931) is 1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-one.
What is the SMILES notation for 1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-one?
The canonical SMILES for 1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-one is Cc1nc(S(=O)(=O)N2CCC(=O)CC2)cn1C.
What is the InChIKey of 1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-one?
The InChIKey is HRRCKPYUPWQTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-8-11-10(7-12(8)2)17(15,16)13-5-3-9(14)4-6-13/h7H,3-6H2,1-2H3.
What are the key properties of 1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-one?
1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-one has a molecular weight of 257.31 g/mol, XLogP of 0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-one is sourced from PubChem (CID 62061931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).