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

C14H23N3O3S — CID 114508593

IUPAC3-ethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one
SMILESCCCn1cc(S(=O)(=O)N2CCC(=O)C(CC)C2)nc1C
InChIInChI=1S/C14H23N3O3S/c1-4-7-16-10-14(15-11(16)3)21(19,20)17-8-6-13(18)12(5-2)9-17/h10,12H,4-9H2,1-3H3
InChIKeyZVYILGOGUFZCPJ-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.59
Rot. Bonds5

About 3-ethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one

3-ethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one (PubChem CID 114508593) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-ethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one.

Molecular Properties

Compound Name3-ethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one
PubChem CID114508593
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name3-ethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one
SMILESCCCn1cc(S(=O)(=O)N2CCC(=O)C(CC)C2)nc1C
InChIInChI=1S/C14H23N3O3S/c1-4-7-16-10-14(15-11(16)3)21(19,20)17-8-6-13(18)12(5-2)9-17/h10,12H,4-9H2,1-3H3
InChIKeyZVYILGOGUFZCPJ-UHFFFAOYSA-N
XLogP1.59
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one
CID 55030484
4-[3-(chloromethyl)pyrrolidin-1-yl]sulfonyl-2-methyl-1-propylimidazole
CID 63400626
1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-3-amine
CID 62065706
3-ethyl-4-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazin-2-one
CID 63601891
(2R)-2-methyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazine
CID 82755485
2,5-dimethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperazine
CID 64979807
3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-one
CID 114508574
(2R)-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 78923251
(3S,4R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidine-3,4-diol
CID 79409931
[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 62064992
(3R)-1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-methylpiperazine
CID 104974999
[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanol
CID 62066251

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one?
The IUPAC name of 3-ethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one (CID 114508593) is 3-ethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one.
What is the SMILES notation for 3-ethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one?
The canonical SMILES for 3-ethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one is CCCn1cc(S(=O)(=O)N2CCC(=O)C(CC)C2)nc1C.
What is the InChIKey of 3-ethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one?
The InChIKey is ZVYILGOGUFZCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-4-7-16-10-14(15-11(16)3)21(19,20)17-8-6-13(18)12(5-2)9-17/h10,12H,4-9H2,1-3H3.
What are the key properties of 3-ethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one?
3-ethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one has a molecular weight of 313.42 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one is sourced from PubChem (CID 114508593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).