2-(3-aminopropylsulfinyl)-1-piperidin-1-ylpropan-1-one

C11H22N2O2S — CID 81187675

IUPAC2-(3-aminopropylsulfinyl)-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)S(=O)CCCN
InChIInChI=1S/C11H22N2O2S/c1-10(16(15)9-5-6-12)11(14)13-7-3-2-4-8-13/h10H,2-9,12H2,1H3
InChIKeyIHHNHXKCMAOJFM-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.48
Rot. Bonds5

About 2-(3-aminopropylsulfinyl)-1-piperidin-1-ylpropan-1-one

2-(3-aminopropylsulfinyl)-1-piperidin-1-ylpropan-1-one (PubChem CID 81187675) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-(3-aminopropylsulfinyl)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(3-aminopropylsulfinyl)-1-piperidin-1-ylpropan-1-one
PubChem CID81187675
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name2-(3-aminopropylsulfinyl)-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)S(=O)CCCN
InChIInChI=1S/C11H22N2O2S/c1-10(16(15)9-5-6-12)11(14)13-7-3-2-4-8-13/h10H,2-9,12H2,1H3
InChIKeyIHHNHXKCMAOJFM-UHFFFAOYSA-N
XLogP0.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-2-methylpropyl)sulfinyl-1-piperidin-1-ylpropan-1-one
CID 81200817
2-(4-aminobutan-2-ylsulfinyl)-1-piperidin-1-ylpropan-1-one
CID 81195879
2-(2-aminobutylsulfinyl)-1-(azepan-1-yl)propan-1-one
CID 81189041
2-(2-aminobutylsulfinyl)-1-pyrrolidin-1-ylpropan-1-one
CID 81195968
N-(3-aminopropyl)-N-methylpiperidine-1-carboxamide
CID 79155525
2-[1-(azepan-1-yl)-1-oxopropan-2-yl]sulfinylpropanoic acid
CID 54883842
2-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 93360859
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
2-[3-aminopropyl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 43137255
N-(3-aminopropyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 79156152
2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 63340162
N-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide
CID 79160813

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylsulfinyl)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(3-aminopropylsulfinyl)-1-piperidin-1-ylpropan-1-one (CID 81187675) is 2-(3-aminopropylsulfinyl)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(3-aminopropylsulfinyl)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(3-aminopropylsulfinyl)-1-piperidin-1-ylpropan-1-one is CC(C(=O)N1CCCCC1)S(=O)CCCN.
What is the InChIKey of 2-(3-aminopropylsulfinyl)-1-piperidin-1-ylpropan-1-one?
The InChIKey is IHHNHXKCMAOJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-10(16(15)9-5-6-12)11(14)13-7-3-2-4-8-13/h10H,2-9,12H2,1H3.
What are the key properties of 2-(3-aminopropylsulfinyl)-1-piperidin-1-ylpropan-1-one?
2-(3-aminopropylsulfinyl)-1-piperidin-1-ylpropan-1-one has a molecular weight of 246.38 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylsulfinyl)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 81187675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).