2-(2-hydroxyethylsulfanyl)-1-piperidin-1-ylethanone

C9H17NO2S — CID 43392421

IUPAC2-(2-hydroxyethylsulfanyl)-1-piperidin-1-ylethanone
SMILESO=C(CSCCO)N1CCCCC1
InChIInChI=1S/C9H17NO2S/c11-6-7-13-8-9(12)10-4-2-1-3-5-10/h11H,1-8H2
InChIKeyIALAFDKUZSXBSF-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.72
Rot. Bonds4

About 2-(2-hydroxyethylsulfanyl)-1-piperidin-1-ylethanone

2-(2-hydroxyethylsulfanyl)-1-piperidin-1-ylethanone (PubChem CID 43392421) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 2-(2-hydroxyethylsulfanyl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-hydroxyethylsulfanyl)-1-piperidin-1-ylethanone
PubChem CID43392421
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name2-(2-hydroxyethylsulfanyl)-1-piperidin-1-ylethanone
SMILESO=C(CSCCO)N1CCCCC1
InChIInChI=1S/C9H17NO2S/c11-6-7-13-8-9(12)10-4-2-1-3-5-10/h11H,1-8H2
InChIKeyIALAFDKUZSXBSF-UHFFFAOYSA-N
XLogP0.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.72
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 2-(2-hydroxyethylsulfanyl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2-hydroxyethylsulfanyl)-1-piperidin-1-ylethanone (CID 43392421) is 2-(2-hydroxyethylsulfanyl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2-hydroxyethylsulfanyl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2-hydroxyethylsulfanyl)-1-piperidin-1-ylethanone is O=C(CSCCO)N1CCCCC1.
What is the InChIKey of 2-(2-hydroxyethylsulfanyl)-1-piperidin-1-ylethanone?
The InChIKey is IALAFDKUZSXBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c11-6-7-13-8-9(12)10-4-2-1-3-5-10/h11H,1-8H2.
What are the key properties of 2-(2-hydroxyethylsulfanyl)-1-piperidin-1-ylethanone?
2-(2-hydroxyethylsulfanyl)-1-piperidin-1-ylethanone has a molecular weight of 203.31 g/mol, XLogP of 0.72, 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-ylethanone is sourced from PubChem (CID 43392421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).