(2-methylpyrrolidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone

C12H22N2O3S — CID 110728182

IUPAC(2-methylpyrrolidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCC1CCCN1C(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H22N2O3S/c1-10-4-3-7-14(10)12(15)11-5-8-13(9-6-11)18(2,16)17/h10-11H,3-9H2,1-2H3
InChIKeyLCKWTZRFKZETGJ-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.67
Rot. Bonds2

About (2-methylpyrrolidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone

(2-methylpyrrolidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone (PubChem CID 110728182) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is (2-methylpyrrolidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(2-methylpyrrolidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
PubChem CID110728182
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name(2-methylpyrrolidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCC1CCCN1C(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H22N2O3S/c1-10-4-3-7-14(10)12(15)11-5-8-13(9-6-11)18(2,16)17/h10-11H,3-9H2,1-2H3
InChIKeyLCKWTZRFKZETGJ-UHFFFAOYSA-N
XLogP0.67
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-methylpiperidin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone
CID 35522626
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 66261063
[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 49048664
2-methyl-1-(1-methylsulfonylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 79372270
[2-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 60741388
[1-(benzenesulfonyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1190400
cyclobutyl-[4-(1-methylsulfonylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110799325
1-(1-methylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 43171029
3-methyl-4-(1-methylsulfonylpiperidine-4-carbonyl)piperazine-2,6-dione
CID 66060961
[(2S,6R)-2-methyl-6-phenylpiperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 96535829
[(2S)-2-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 59401908
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 51320895

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrrolidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of (2-methylpyrrolidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone (CID 110728182) is (2-methylpyrrolidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for (2-methylpyrrolidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for (2-methylpyrrolidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone is CC1CCCN1C(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of (2-methylpyrrolidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone?
The InChIKey is LCKWTZRFKZETGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-10-4-3-7-14(10)12(15)11-5-8-13(9-6-11)18(2,16)17/h10-11H,3-9H2,1-2H3.
What are the key properties of (2-methylpyrrolidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone?
(2-methylpyrrolidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone has a molecular weight of 274.39 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrrolidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 110728182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).