1-(2-ethylsulfanylethyl)-4-methoxypiperidine

C10H21NOS — CID 59751867

IUPAC1-(2-ethylsulfanylethyl)-4-methoxypiperidine
SMILESCCSCCN1CCC(OC)CC1
InChIInChI=1S/C10H21NOS/c1-3-13-9-8-11-6-4-10(12-2)5-7-11/h10H,3-9H2,1-2H3
InChIKeyMNFLRBMZMRLMSF-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.85
Rot. Bonds5

About 1-(2-ethylsulfanylethyl)-4-methoxypiperidine

1-(2-ethylsulfanylethyl)-4-methoxypiperidine (PubChem CID 59751867) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 1-(2-ethylsulfanylethyl)-4-methoxypiperidine.

Molecular Properties

Compound Name1-(2-ethylsulfanylethyl)-4-methoxypiperidine
PubChem CID59751867
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name1-(2-ethylsulfanylethyl)-4-methoxypiperidine
SMILESCCSCCN1CCC(OC)CC1
InChIInChI=1S/C10H21NOS/c1-3-13-9-8-11-6-4-10(12-2)5-7-11/h10H,3-9H2,1-2H3
InChIKeyMNFLRBMZMRLMSF-UHFFFAOYSA-N
XLogP1.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.85
H-Bond Donors ≤ 50
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-ethylsulfanylethyl)-4-methoxypiperidine?
The IUPAC name of 1-(2-ethylsulfanylethyl)-4-methoxypiperidine (CID 59751867) is 1-(2-ethylsulfanylethyl)-4-methoxypiperidine.
What is the SMILES notation for 1-(2-ethylsulfanylethyl)-4-methoxypiperidine?
The canonical SMILES for 1-(2-ethylsulfanylethyl)-4-methoxypiperidine is CCSCCN1CCC(OC)CC1.
What is the InChIKey of 1-(2-ethylsulfanylethyl)-4-methoxypiperidine?
The InChIKey is MNFLRBMZMRLMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-3-13-9-8-11-6-4-10(12-2)5-7-11/h10H,3-9H2,1-2H3.
What are the key properties of 1-(2-ethylsulfanylethyl)-4-methoxypiperidine?
1-(2-ethylsulfanylethyl)-4-methoxypiperidine has a molecular weight of 203.35 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanylethyl)-4-methoxypiperidine is sourced from PubChem (CID 59751867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).