1-(2-ethylsulfinylethyl)piperidine

C9H19NOS — CID 15232581

IUPAC1-(2-ethylsulfinylethyl)piperidine
SMILESCCS(=O)CCN1CCCCC1
InChIInChI=1S/C9H19NOS/c1-2-12(11)9-8-10-6-4-3-5-7-10/h2-9H2,1H3
InChIKeyZMSSOMSRQLGFOX-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.24
Rot. Bonds4

About 1-(2-ethylsulfinylethyl)piperidine

1-(2-ethylsulfinylethyl)piperidine (PubChem CID 15232581) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 1-(2-ethylsulfinylethyl)piperidine.

Molecular Properties

Compound Name1-(2-ethylsulfinylethyl)piperidine
PubChem CID15232581
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name1-(2-ethylsulfinylethyl)piperidine
SMILESCCS(=O)CCN1CCCCC1
InChIInChI=1S/C9H19NOS/c1-2-12(11)9-8-10-6-4-3-5-7-10/h2-9H2,1H3
InChIKeyZMSSOMSRQLGFOX-UHFFFAOYSA-N
XLogP1.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfinylethyl)piperidine?
The IUPAC name of 1-(2-ethylsulfinylethyl)piperidine (CID 15232581) is 1-(2-ethylsulfinylethyl)piperidine.
What is the SMILES notation for 1-(2-ethylsulfinylethyl)piperidine?
The canonical SMILES for 1-(2-ethylsulfinylethyl)piperidine is CCS(=O)CCN1CCCCC1.
What is the InChIKey of 1-(2-ethylsulfinylethyl)piperidine?
The InChIKey is ZMSSOMSRQLGFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-2-12(11)9-8-10-6-4-3-5-7-10/h2-9H2,1H3.
What are the key properties of 1-(2-ethylsulfinylethyl)piperidine?
1-(2-ethylsulfinylethyl)piperidine has a molecular weight of 189.32 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfinylethyl)piperidine is sourced from PubChem (CID 15232581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).