4,4-dimethyl-1-methylsulfonylpiperidin-3-one

C8H15NO3S — CID 115269922

IUPAC4,4-dimethyl-1-methylsulfonylpiperidin-3-one
SMILESCC1(C)CCN(S(C)(=O)=O)CC1=O
InChIInChI=1S/C8H15NO3S/c1-8(2)4-5-9(6-7(8)10)13(3,11)12/h4-6H2,1-3H3
InChIKeyHYXYNHLKUCAFCH-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.25
Rot. Bonds1

About 4,4-dimethyl-1-methylsulfonylpiperidin-3-one

4,4-dimethyl-1-methylsulfonylpiperidin-3-one (PubChem CID 115269922) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is 4,4-dimethyl-1-methylsulfonylpiperidin-3-one.

Molecular Properties

Compound Name4,4-dimethyl-1-methylsulfonylpiperidin-3-one
PubChem CID115269922
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name4,4-dimethyl-1-methylsulfonylpiperidin-3-one
SMILESCC1(C)CCN(S(C)(=O)=O)CC1=O
InChIInChI=1S/C8H15NO3S/c1-8(2)4-5-9(6-7(8)10)13(3,11)12/h4-6H2,1-3H3
InChIKeyHYXYNHLKUCAFCH-UHFFFAOYSA-N
XLogP0.25
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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-cycloheptyl-4,4-dimethylpiperidin-3-one
CID 117025164
(4-methyl-1-methylsulfonylpiperidin-4-yl)methanol
CID 58959839
7-methylsulfonyl-7-azaspiro[3.5]nonane
CID 126998846
4-methyl-1-methylsulfonyl-4-(trifluoromethyl)azepane
CID 91434914
1-methylsulfonyl-4-phenylpiperidin-4-ol
CID 90920425
8-methylsulfonyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 171352815
1-(2-methoxyethyl)-4,4-dimethylpiperidin-3-one
CID 117025154
1-(3-methoxypropyl)-4,4-dimethylpiperidin-3-one
CID 117025155
4-methyl-7-methylsulfonyl-4,7-diazaspiro[2.5]octane
CID 153061234
4-(hydroxymethyl)-1-methylsulfonylpiperidin-4-ol
CID 130490728
4-(1-methylcyclopropyl)-1-methylsulfonylpiperidine
CID 58054117
ethene;1-methylsulfonylpiperidin-4-one
CID 18673809

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-methylsulfonylpiperidin-3-one?
The IUPAC name of 4,4-dimethyl-1-methylsulfonylpiperidin-3-one (CID 115269922) is 4,4-dimethyl-1-methylsulfonylpiperidin-3-one.
What is the SMILES notation for 4,4-dimethyl-1-methylsulfonylpiperidin-3-one?
The canonical SMILES for 4,4-dimethyl-1-methylsulfonylpiperidin-3-one is CC1(C)CCN(S(C)(=O)=O)CC1=O.
What is the InChIKey of 4,4-dimethyl-1-methylsulfonylpiperidin-3-one?
The InChIKey is HYXYNHLKUCAFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-8(2)4-5-9(6-7(8)10)13(3,11)12/h4-6H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-methylsulfonylpiperidin-3-one?
4,4-dimethyl-1-methylsulfonylpiperidin-3-one has a molecular weight of 205.28 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-methylsulfonylpiperidin-3-one is sourced from PubChem (CID 115269922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).