2-(4-aminobutan-2-ylsulfinyl)-1-piperidin-1-ylpropan-1-one

C12H24N2O2S — CID 81195879

IUPAC2-(4-aminobutan-2-ylsulfinyl)-1-piperidin-1-ylpropan-1-one
SMILESCC(CCN)S(=O)C(C)C(=O)N1CCCCC1
InChIInChI=1S/C12H24N2O2S/c1-10(6-7-13)17(16)11(2)12(15)14-8-4-3-5-9-14/h10-11H,3-9,13H2,1-2H3
InChIKeyGPLGITKPSOWRRN-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.87
Rot. Bonds5

About 2-(4-aminobutan-2-ylsulfinyl)-1-piperidin-1-ylpropan-1-one

2-(4-aminobutan-2-ylsulfinyl)-1-piperidin-1-ylpropan-1-one (PubChem CID 81195879) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 2-(4-aminobutan-2-ylsulfinyl)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-aminobutan-2-ylsulfinyl)-1-piperidin-1-ylpropan-1-one
PubChem CID81195879
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name2-(4-aminobutan-2-ylsulfinyl)-1-piperidin-1-ylpropan-1-one
SMILESCC(CCN)S(=O)C(C)C(=O)N1CCCCC1
InChIInChI=1S/C12H24N2O2S/c1-10(6-7-13)17(16)11(2)12(15)14-8-4-3-5-9-14/h10-11H,3-9,13H2,1-2H3
InChIKeyGPLGITKPSOWRRN-UHFFFAOYSA-N
XLogP0.87
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-aminobutan-2-ylsulfinyl)-1-piperidin-1-ylpropan-1-one with MolForge

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Related Compounds

2-(3-aminopropylsulfinyl)-1-piperidin-1-ylpropan-1-one
CID 81187675
2-[1-(azepan-1-yl)-1-oxopropan-2-yl]sulfinylpropanoic acid
CID 54883842
2,4-diamino-1-piperidin-1-ylbutan-1-one
CID 24906298
2-(4-aminobutan-2-ylsulfanyl)-1-(azepan-1-yl)propan-1-one
CID 66228390
2-(3-amino-2-methylpropyl)sulfinyl-1-piperidin-1-ylpropan-1-one
CID 81200817
2-(2-aminobutylsulfinyl)-1-(azepan-1-yl)propan-1-one
CID 81189041
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 63340162
2-(2-aminobutylsulfinyl)-1-pyrrolidin-1-ylpropan-1-one
CID 81195968
2-[2-aminoethyl(propan-2-yl)amino]-1-(azepan-1-yl)propan-1-one
CID 61350499
1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 163844566
(2R)-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 91806212

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutan-2-ylsulfinyl)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(4-aminobutan-2-ylsulfinyl)-1-piperidin-1-ylpropan-1-one (CID 81195879) is 2-(4-aminobutan-2-ylsulfinyl)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(4-aminobutan-2-ylsulfinyl)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(4-aminobutan-2-ylsulfinyl)-1-piperidin-1-ylpropan-1-one is CC(CCN)S(=O)C(C)C(=O)N1CCCCC1.
What is the InChIKey of 2-(4-aminobutan-2-ylsulfinyl)-1-piperidin-1-ylpropan-1-one?
The InChIKey is GPLGITKPSOWRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-10(6-7-13)17(16)11(2)12(15)14-8-4-3-5-9-14/h10-11H,3-9,13H2,1-2H3.
What are the key properties of 2-(4-aminobutan-2-ylsulfinyl)-1-piperidin-1-ylpropan-1-one?
2-(4-aminobutan-2-ylsulfinyl)-1-piperidin-1-ylpropan-1-one has a molecular weight of 260.40 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutan-2-ylsulfinyl)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 81195879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).