1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-one

C9H13N3O3S — CID 62375806

IUPAC1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-one
SMILESCn1cnc(S(=O)(=O)N2CCC(=O)CC2)c1
InChIInChI=1S/C9H13N3O3S/c1-11-6-9(10-7-11)16(14,15)12-4-2-8(13)3-5-12/h6-7H,2-5H2,1H3
InChIKeyAQXNBJXXEMKRLZ-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.23
Rot. Bonds2

About 1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-one

1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-one (PubChem CID 62375806) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-one.

Molecular Properties

Compound Name1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-one
PubChem CID62375806
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-one
SMILESCn1cnc(S(=O)(=O)N2CCC(=O)CC2)c1
InChIInChI=1S/C9H13N3O3S/c1-11-6-9(10-7-11)16(14,15)12-4-2-8(13)3-5-12/h6-7H,2-5H2,1H3
InChIKeyAQXNBJXXEMKRLZ-UHFFFAOYSA-N
XLogP-0.23
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-one?
The IUPAC name of 1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-one (CID 62375806) is 1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-one.
What is the SMILES notation for 1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-one?
The canonical SMILES for 1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-one is Cn1cnc(S(=O)(=O)N2CCC(=O)CC2)c1.
What is the InChIKey of 1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-one?
The InChIKey is AQXNBJXXEMKRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-11-6-9(10-7-11)16(14,15)12-4-2-8(13)3-5-12/h6-7H,2-5H2,1H3.
What are the key properties of 1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-one?
1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-one has a molecular weight of 243.29 g/mol, XLogP of -0.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-one is sourced from PubChem (CID 62375806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).