2,2-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)propan-1-one

C11H21NO3S — CID 118217451

IUPAC2,2-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)propan-1-one
SMILESCC(C)(C)C(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H21NO3S/c1-11(2,3)10(13)9-5-7-12(8-6-9)16(4,14)15/h9H,5-8H2,1-4H3
InChIKeyHSVRLBFHVQERRS-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.27
Rot. Bonds2

About 2,2-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)propan-1-one

2,2-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)propan-1-one (PubChem CID 118217451) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)propan-1-one
PubChem CID118217451
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name2,2-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)propan-1-one
SMILESCC(C)(C)C(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H21NO3S/c1-11(2,3)10(13)9-5-7-12(8-6-9)16(4,14)15/h9H,5-8H2,1-4H3
InChIKeyHSVRLBFHVQERRS-UHFFFAOYSA-N
XLogP1.27
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-(1-methylsulfonylpiperidin-4-yl)ethanone
CID 82044409
2,3,3-trimethyl-4-(1-methylsulfonylpiperidin-4-yl)butan-2-ol
CID 170271382
2,2-dimethyl-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 81367181
cyclobutyl-[4-(1-methylsulfonylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110799325
[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 49048664
(2-methylpyrrolidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110728182
N-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide
CID 774769
N-cyclopentyl-N-cyclopropyl-1-methylsulfonylpiperidine-4-carboxamide
CID 110872931
(1-methylsulfonylpiperidin-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 160908766
1-methylsulfonylpiperidine-4-thiol
CID 130490648
1-(1-aminopiperidin-4-yl)-2,2-dimethylpropan-1-one;bicyclo[2.2.0]hexa-1,3,5-triene
CID 174326681
N-(2-amino-2-ethylbutyl)-1-methylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119642002

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)propan-1-one (CID 118217451) is 2,2-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)propan-1-one is CC(C)(C)C(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2,2-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)propan-1-one?
The InChIKey is HSVRLBFHVQERRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-11(2,3)10(13)9-5-7-12(8-6-9)16(4,14)15/h9H,5-8H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)propan-1-one?
2,2-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)propan-1-one has a molecular weight of 247.36 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)propan-1-one is sourced from PubChem (CID 118217451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).