2-(2-hydroxyethylsulfanyl)-1-piperidin-1-ylpropan-1-one

C10H19NO2S — CID 43389391

IUPAC2-(2-hydroxyethylsulfanyl)-1-piperidin-1-ylpropan-1-one
SMILESCC(SCCO)C(=O)N1CCCCC1
InChIInChI=1S/C10H19NO2S/c1-9(14-8-7-12)10(13)11-5-3-2-4-6-11/h9,12H,2-8H2,1H3
InChIKeyCPPMSFYLDFQYDL-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.11
Rot. Bonds4

About 2-(2-hydroxyethylsulfanyl)-1-piperidin-1-ylpropan-1-one

2-(2-hydroxyethylsulfanyl)-1-piperidin-1-ylpropan-1-one (PubChem CID 43389391) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 2-(2-hydroxyethylsulfanyl)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(2-hydroxyethylsulfanyl)-1-piperidin-1-ylpropan-1-one
PubChem CID43389391
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name2-(2-hydroxyethylsulfanyl)-1-piperidin-1-ylpropan-1-one
SMILESCC(SCCO)C(=O)N1CCCCC1
InChIInChI=1S/C10H19NO2S/c1-9(14-8-7-12)10(13)11-5-3-2-4-6-11/h9,12H,2-8H2,1H3
InChIKeyCPPMSFYLDFQYDL-UHFFFAOYSA-N
XLogP1.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylsulfanyl)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(2-hydroxyethylsulfanyl)-1-piperidin-1-ylpropan-1-one (CID 43389391) is 2-(2-hydroxyethylsulfanyl)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(2-hydroxyethylsulfanyl)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(2-hydroxyethylsulfanyl)-1-piperidin-1-ylpropan-1-one is CC(SCCO)C(=O)N1CCCCC1.
What is the InChIKey of 2-(2-hydroxyethylsulfanyl)-1-piperidin-1-ylpropan-1-one?
The InChIKey is CPPMSFYLDFQYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-9(14-8-7-12)10(13)11-5-3-2-4-6-11/h9,12H,2-8H2,1H3.
What are the key properties of 2-(2-hydroxyethylsulfanyl)-1-piperidin-1-ylpropan-1-one?
2-(2-hydroxyethylsulfanyl)-1-piperidin-1-ylpropan-1-one has a molecular weight of 217.33 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylsulfanyl)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 43389391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).