1-(2,6-dimethylpiperidin-1-yl)-2-(2-hydroxyethylsulfanyl)ethanone

C11H21NO2S — CID 43392413

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-(2-hydroxyethylsulfanyl)ethanone
SMILESCC1CCCC(C)N1C(=O)CSCCO
InChIInChI=1S/C11H21NO2S/c1-9-4-3-5-10(2)12(9)11(14)8-15-7-6-13/h9-10,13H,3-8H2,1-2H3
InChIKeyBIGWVVHGSNEKHF-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.50
Rot. Bonds4

About 1-(2,6-dimethylpiperidin-1-yl)-2-(2-hydroxyethylsulfanyl)ethanone

1-(2,6-dimethylpiperidin-1-yl)-2-(2-hydroxyethylsulfanyl)ethanone (PubChem CID 43392413) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-(2-hydroxyethylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-(2-hydroxyethylsulfanyl)ethanone
PubChem CID43392413
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-(2-hydroxyethylsulfanyl)ethanone
SMILESCC1CCCC(C)N1C(=O)CSCCO
InChIInChI=1S/C11H21NO2S/c1-9-4-3-5-10(2)12(9)11(14)8-15-7-6-13/h9-10,13H,3-8H2,1-2H3
InChIKeyBIGWVVHGSNEKHF-UHFFFAOYSA-N
XLogP1.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-(2-hydroxyethylsulfanyl)ethanone?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-(2-hydroxyethylsulfanyl)ethanone (CID 43392413) is 1-(2,6-dimethylpiperidin-1-yl)-2-(2-hydroxyethylsulfanyl)ethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-(2-hydroxyethylsulfanyl)ethanone?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-(2-hydroxyethylsulfanyl)ethanone is CC1CCCC(C)N1C(=O)CSCCO.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-(2-hydroxyethylsulfanyl)ethanone?
The InChIKey is BIGWVVHGSNEKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-9-4-3-5-10(2)12(9)11(14)8-15-7-6-13/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-(2-hydroxyethylsulfanyl)ethanone?
1-(2,6-dimethylpiperidin-1-yl)-2-(2-hydroxyethylsulfanyl)ethanone has a molecular weight of 231.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-(2-hydroxyethylsulfanyl)ethanone is sourced from PubChem (CID 43392413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).