3-amino-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-one

C11H22N2O3S — CID 116560110

IUPAC3-amino-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-one
SMILESCC(C)(N)C(=O)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O3S/c1-11(2,12)10(14)7-9-5-4-6-13(8-9)17(3,15)16/h9H,4-8,12H2,1-3H3
InChIKeyXLIVGKNYVLKJAZ-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.35
Rot. Bonds4

About 3-amino-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-one

3-amino-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-one (PubChem CID 116560110) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 3-amino-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-one.

Molecular Properties

Compound Name3-amino-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-one
PubChem CID116560110
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name3-amino-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-one
SMILESCC(C)(N)C(=O)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O3S/c1-11(2,12)10(14)7-9-5-4-6-13(8-9)17(3,15)16/h9H,4-8,12H2,1-3H3
InChIKeyXLIVGKNYVLKJAZ-UHFFFAOYSA-N
XLogP0.35
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
CID 79610749
3-methoxy-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
CID 116746747
4,4-dimethyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
CID 79611561
3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
CID 116747630
3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098
methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate
CID 106942546
4,5,5-trimethyl-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-one
CID 115784270
1-[1-(aminomethyl)cyclobutyl]-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 116600281
4-(tert-butylamino)-1-(1-methylsulfonylpiperidin-3-yl)butan-2-one
CID 116557871
2-fluoro-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
CID 112565048
2-hydroxy-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propanal
CID 79612929
1-(1-hydroxycycloheptyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 103450370

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-one?
The IUPAC name of 3-amino-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-one (CID 116560110) is 3-amino-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-one.
What is the SMILES notation for 3-amino-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-one?
The canonical SMILES for 3-amino-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-one is CC(C)(N)C(=O)CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 3-amino-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-one?
The InChIKey is XLIVGKNYVLKJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-11(2,12)10(14)7-9-5-4-6-13(8-9)17(3,15)16/h9H,4-8,12H2,1-3H3.
What are the key properties of 3-amino-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-one?
3-amino-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-one has a molecular weight of 262.37 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-one is sourced from PubChem (CID 116560110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).