1-(1-methylsulfonylpiperidin-3-yl)ethanone

C8H15NO3S — CID 59841135

IUPAC1-(1-methylsulfonylpiperidin-3-yl)ethanone
SMILESCC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C8H15NO3S/c1-7(10)8-4-3-5-9(6-8)13(2,11)12/h8H,3-6H2,1-2H3
InChIKeyUOBJCVOVFIMMHJ-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.25
Rot. Bonds2

About 1-(1-methylsulfonylpiperidin-3-yl)ethanone

1-(1-methylsulfonylpiperidin-3-yl)ethanone (PubChem CID 59841135) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is 1-(1-methylsulfonylpiperidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-methylsulfonylpiperidin-3-yl)ethanone
PubChem CID59841135
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name1-(1-methylsulfonylpiperidin-3-yl)ethanone
SMILESCC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C8H15NO3S/c1-7(10)8-4-3-5-9(6-8)13(2,11)12/h8H,3-6H2,1-2H3
InChIKeyUOBJCVOVFIMMHJ-UHFFFAOYSA-N
XLogP0.25
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(azepan-1-ylsulfonyl)piperidin-3-yl]ethanone
CID 63846938
(3R)-1-methylsulfonylpiperidine-3-carboxamide
CID 92512001
1-methylsulfonyl-3-prop-1-en-2-ylpiperidine
CID 145118494
azepan-1-yl-(1-methylsulfonylpiperidin-3-yl)methanone
CID 45153724
(3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide
CID 6938499
(2,6-dimethylpiperidin-1-yl)-(1-methylsulfonylpiperidin-3-yl)methanone
CID 110700207
(3S)-1-methylsulfonylpiperidin-3-ol
CID 51698302
1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxylic acid
CID 43355832
(3S)-1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxylic acid
CID 81120769
[(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone
CID 79030868
[(2S)-2-methylpiperidin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone
CID 35522626
1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxamide
CID 45372000

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylpiperidin-3-yl)ethanone?
The IUPAC name of 1-(1-methylsulfonylpiperidin-3-yl)ethanone (CID 59841135) is 1-(1-methylsulfonylpiperidin-3-yl)ethanone.
What is the SMILES notation for 1-(1-methylsulfonylpiperidin-3-yl)ethanone?
The canonical SMILES for 1-(1-methylsulfonylpiperidin-3-yl)ethanone is CC(=O)C1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 1-(1-methylsulfonylpiperidin-3-yl)ethanone?
The InChIKey is UOBJCVOVFIMMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-7(10)8-4-3-5-9(6-8)13(2,11)12/h8H,3-6H2,1-2H3.
What are the key properties of 1-(1-methylsulfonylpiperidin-3-yl)ethanone?
1-(1-methylsulfonylpiperidin-3-yl)ethanone has a molecular weight of 205.28 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpiperidin-3-yl)ethanone is sourced from PubChem (CID 59841135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).