1-(1-piperidin-1-ylsulfonylcyclopentyl)ethanone

C12H21NO3S — CID 115048528

IUPAC1-(1-piperidin-1-ylsulfonylcyclopentyl)ethanone
SMILESCC(=O)C1(S(=O)(=O)N2CCCCC2)CCCC1
InChIInChI=1S/C12H21NO3S/c1-11(14)12(7-3-4-8-12)17(15,16)13-9-5-2-6-10-13/h2-10H2,1H3
InChIKeyOJHASEPLMKUSNQ-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.70
Rot. Bonds3

About 1-(1-piperidin-1-ylsulfonylcyclopentyl)ethanone

1-(1-piperidin-1-ylsulfonylcyclopentyl)ethanone (PubChem CID 115048528) has the molecular formula C12H21NO3S and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-(1-piperidin-1-ylsulfonylcyclopentyl)ethanone.

Molecular Properties

Compound Name1-(1-piperidin-1-ylsulfonylcyclopentyl)ethanone
PubChem CID115048528
Molecular FormulaC12H21NO3S
Molecular Weight259.37 g/mol
Exact Mass259.12
IUPAC Name1-(1-piperidin-1-ylsulfonylcyclopentyl)ethanone
SMILESCC(=O)C1(S(=O)(=O)N2CCCCC2)CCCC1
InChIInChI=1S/C12H21NO3S/c1-11(14)12(7-3-4-8-12)17(15,16)13-9-5-2-6-10-13/h2-10H2,1H3
InChIKeyOJHASEPLMKUSNQ-UHFFFAOYSA-N
XLogP1.70
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-piperidin-1-ylsulfonylcyclopentane-1-carboxylic acid
CID 115048845
(1-acetylcyclohexyl)sulfonyloxy 1-acetylcyclohexane-1-sulfonate
CID 21225538
1-(azepan-1-ylsulfonyl)-2-methylpiperidine-2-carboxylic acid
CID 104595620
methyl 1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylate
CID 146441803
1-piperidin-1-ylsulfonylcyclopentane-1-carbaldehyde
CID 115045621
1-pyrrolidin-1-ylsulfonylcyclohexane-1-carbaldehyde
CID 115045620
4-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxylic acid
CID 63123862
N-piperidin-1-ylsulfonylacetamide
CID 59405916
1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane
CID 2238490
1-(1-methylcyclohexyl)-3-piperidin-1-ylsulfonylurea
CID 134126330
1-(piperidin-1-ylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81164218
1-[1-(azepan-1-ylsulfonyl)piperidin-3-yl]ethanone
CID 63846938

Frequently Asked Questions

What is the IUPAC name of 1-(1-piperidin-1-ylsulfonylcyclopentyl)ethanone?
The IUPAC name of 1-(1-piperidin-1-ylsulfonylcyclopentyl)ethanone (CID 115048528) is 1-(1-piperidin-1-ylsulfonylcyclopentyl)ethanone.
What is the SMILES notation for 1-(1-piperidin-1-ylsulfonylcyclopentyl)ethanone?
The canonical SMILES for 1-(1-piperidin-1-ylsulfonylcyclopentyl)ethanone is CC(=O)C1(S(=O)(=O)N2CCCCC2)CCCC1.
What is the InChIKey of 1-(1-piperidin-1-ylsulfonylcyclopentyl)ethanone?
The InChIKey is OJHASEPLMKUSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3S/c1-11(14)12(7-3-4-8-12)17(15,16)13-9-5-2-6-10-13/h2-10H2,1H3.
What are the key properties of 1-(1-piperidin-1-ylsulfonylcyclopentyl)ethanone?
1-(1-piperidin-1-ylsulfonylcyclopentyl)ethanone has a molecular weight of 259.37 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-piperidin-1-ylsulfonylcyclopentyl)ethanone is sourced from PubChem (CID 115048528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).