1-(4-ethylsulfanylbutyl)piperidine

C11H23NS — CID 18965256

IUPAC1-(4-ethylsulfanylbutyl)piperidine
SMILESCCSCCCCN1CCCCC1
InChIInChI=1S/C11H23NS/c1-2-13-11-7-6-10-12-8-4-3-5-9-12/h2-11H2,1H3
InChIKeyLFHLCIHYFXLXDJ-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.01
Rot. Bonds6

About 1-(4-ethylsulfanylbutyl)piperidine

1-(4-ethylsulfanylbutyl)piperidine (PubChem CID 18965256) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 1-(4-ethylsulfanylbutyl)piperidine.

Molecular Properties

Compound Name1-(4-ethylsulfanylbutyl)piperidine
PubChem CID18965256
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name1-(4-ethylsulfanylbutyl)piperidine
SMILESCCSCCCCN1CCCCC1
InChIInChI=1S/C11H23NS/c1-2-13-11-7-6-10-12-8-4-3-5-9-12/h2-11H2,1H3
InChIKeyLFHLCIHYFXLXDJ-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-ethylsulfanylbutyl)piperidine?
The IUPAC name of 1-(4-ethylsulfanylbutyl)piperidine (CID 18965256) is 1-(4-ethylsulfanylbutyl)piperidine.
What is the SMILES notation for 1-(4-ethylsulfanylbutyl)piperidine?
The canonical SMILES for 1-(4-ethylsulfanylbutyl)piperidine is CCSCCCCN1CCCCC1.
What is the InChIKey of 1-(4-ethylsulfanylbutyl)piperidine?
The InChIKey is LFHLCIHYFXLXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-2-13-11-7-6-10-12-8-4-3-5-9-12/h2-11H2,1H3.
What are the key properties of 1-(4-ethylsulfanylbutyl)piperidine?
1-(4-ethylsulfanylbutyl)piperidine has a molecular weight of 201.38 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylbutyl)piperidine is sourced from PubChem (CID 18965256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).