1-[1-(aminomethyl)cyclobutyl]-2-(1-methylsulfonylpiperidin-3-yl)ethanone

C13H24N2O3S — CID 116600281

IUPAC1-[1-(aminomethyl)cyclobutyl]-2-(1-methylsulfonylpiperidin-3-yl)ethanone
SMILESCS(=O)(=O)N1CCCC(CC(=O)C2(CN)CCC2)C1
InChIInChI=1S/C13H24N2O3S/c1-19(17,18)15-7-2-4-11(9-15)8-12(16)13(10-14)5-3-6-13/h11H,2-10,14H2,1H3
InChIKeyGSLOVEWLTQYBAS-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.75
Rot. Bonds5

About 1-[1-(aminomethyl)cyclobutyl]-2-(1-methylsulfonylpiperidin-3-yl)ethanone

1-[1-(aminomethyl)cyclobutyl]-2-(1-methylsulfonylpiperidin-3-yl)ethanone (PubChem CID 116600281) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclobutyl]-2-(1-methylsulfonylpiperidin-3-yl)ethanone.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclobutyl]-2-(1-methylsulfonylpiperidin-3-yl)ethanone
PubChem CID116600281
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name1-[1-(aminomethyl)cyclobutyl]-2-(1-methylsulfonylpiperidin-3-yl)ethanone
SMILESCS(=O)(=O)N1CCCC(CC(=O)C2(CN)CCC2)C1
InChIInChI=1S/C13H24N2O3S/c1-19(17,18)15-7-2-4-11(9-15)8-12(16)13(10-14)5-3-6-13/h11H,2-10,14H2,1H3
InChIKeyGSLOVEWLTQYBAS-UHFFFAOYSA-N
XLogP0.75
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-hydroxycycloheptyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 103450370
1-(1-methoxycyclobutyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 116707033
3-amino-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-one
CID 116560110
1-(4,4-dimethylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 79609547
1-(4-methoxyoxan-4-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 116748724
methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate
CID 106942546
1-(2,2-dimethylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 107003956
1-(2,2-dimethylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 107187239
1-[1-(aminomethyl)cycloheptyl]-2-cyclobutylethanone
CID 116602062
4,4-dimethyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
CID 79611561
1-(ethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one
CID 116562490
3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
CID 116747630

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-2-(1-methylsulfonylpiperidin-3-yl)ethanone?
The IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-2-(1-methylsulfonylpiperidin-3-yl)ethanone (CID 116600281) is 1-[1-(aminomethyl)cyclobutyl]-2-(1-methylsulfonylpiperidin-3-yl)ethanone.
What is the SMILES notation for 1-[1-(aminomethyl)cyclobutyl]-2-(1-methylsulfonylpiperidin-3-yl)ethanone?
The canonical SMILES for 1-[1-(aminomethyl)cyclobutyl]-2-(1-methylsulfonylpiperidin-3-yl)ethanone is CS(=O)(=O)N1CCCC(CC(=O)C2(CN)CCC2)C1.
What is the InChIKey of 1-[1-(aminomethyl)cyclobutyl]-2-(1-methylsulfonylpiperidin-3-yl)ethanone?
The InChIKey is GSLOVEWLTQYBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-19(17,18)15-7-2-4-11(9-15)8-12(16)13(10-14)5-3-6-13/h11H,2-10,14H2,1H3.
What are the key properties of 1-[1-(aminomethyl)cyclobutyl]-2-(1-methylsulfonylpiperidin-3-yl)ethanone?
1-[1-(aminomethyl)cyclobutyl]-2-(1-methylsulfonylpiperidin-3-yl)ethanone has a molecular weight of 288.41 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclobutyl]-2-(1-methylsulfonylpiperidin-3-yl)ethanone is sourced from PubChem (CID 116600281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).