4-(2-oxo-2-piperidin-1-ylethyl)sulfonylpentan-2-one

C12H21NO4S — CID 114236346

IUPAC4-(2-oxo-2-piperidin-1-ylethyl)sulfonylpentan-2-one
SMILESCC(=O)CC(C)S(=O)(=O)CC(=O)N1CCCCC1
InChIInChI=1S/C12H21NO4S/c1-10(14)8-11(2)18(16,17)9-12(15)13-6-4-3-5-7-13/h11H,3-9H2,1-2H3
InChIKeyMUVAOYKOTRWESX-UHFFFAOYSA-N
MW275.37 g/mol
LogP0.78
Rot. Bonds5

About 4-(2-oxo-2-piperidin-1-ylethyl)sulfonylpentan-2-one

4-(2-oxo-2-piperidin-1-ylethyl)sulfonylpentan-2-one (PubChem CID 114236346) has the molecular formula C12H21NO4S and a molecular weight of 275.37 g/mol. Its IUPAC name is 4-(2-oxo-2-piperidin-1-ylethyl)sulfonylpentan-2-one.

Molecular Properties

Compound Name4-(2-oxo-2-piperidin-1-ylethyl)sulfonylpentan-2-one
PubChem CID114236346
Molecular FormulaC12H21NO4S
Molecular Weight275.37 g/mol
Exact Mass275.12
IUPAC Name4-(2-oxo-2-piperidin-1-ylethyl)sulfonylpentan-2-one
SMILESCC(=O)CC(C)S(=O)(=O)CC(=O)N1CCCCC1
InChIInChI=1S/C12H21NO4S/c1-10(14)8-11(2)18(16,17)9-12(15)13-6-4-3-5-7-13/h11H,3-9H2,1-2H3
InChIKeyMUVAOYKOTRWESX-UHFFFAOYSA-N
XLogP0.78
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminobutan-2-ylsulfonyl)-1-piperidin-1-ylethanone
CID 81195027
2-(3-aminopentan-2-ylsulfonyl)-1-pyrrolidin-1-ylethanone
CID 114236172
(3R)-3-amino-1-piperidin-1-ylbutan-1-one
CID 59102647
methyl 2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylbutanoate
CID 114235836
2-[3-(ethylamino)butan-2-ylsulfonyl]-1-pyrrolidin-1-ylethanone
CID 114236176
2-(5-aminohexylsulfonyl)-1-pyrrolidin-1-ylethanone
CID 114236177
(3R)-3-methyl-1-piperidin-1-ylpentan-1-one
CID 174011715
N-(2-oxo-2-piperidin-1-ylethyl)-N-propan-2-ylacetamide
CID 113158106
N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-propan-2-ylmethanesulfonamide
CID 113147650
4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylbutanoic acid
CID 114236357
5-(azocan-1-yl)-3-methyl-5-oxopentanoic acid
CID 62964849
1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-2-piperidin-1-ylethyl)sulfonylpentan-2-one?
The IUPAC name of 4-(2-oxo-2-piperidin-1-ylethyl)sulfonylpentan-2-one (CID 114236346) is 4-(2-oxo-2-piperidin-1-ylethyl)sulfonylpentan-2-one.
What is the SMILES notation for 4-(2-oxo-2-piperidin-1-ylethyl)sulfonylpentan-2-one?
The canonical SMILES for 4-(2-oxo-2-piperidin-1-ylethyl)sulfonylpentan-2-one is CC(=O)CC(C)S(=O)(=O)CC(=O)N1CCCCC1.
What is the InChIKey of 4-(2-oxo-2-piperidin-1-ylethyl)sulfonylpentan-2-one?
The InChIKey is MUVAOYKOTRWESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4S/c1-10(14)8-11(2)18(16,17)9-12(15)13-6-4-3-5-7-13/h11H,3-9H2,1-2H3.
What are the key properties of 4-(2-oxo-2-piperidin-1-ylethyl)sulfonylpentan-2-one?
4-(2-oxo-2-piperidin-1-ylethyl)sulfonylpentan-2-one has a molecular weight of 275.37 g/mol, XLogP of 0.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-2-piperidin-1-ylethyl)sulfonylpentan-2-one is sourced from PubChem (CID 114236346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).