4-[2-(2-methoxyethylsulfanyl)ethyl]piperidine

C10H21NOS — CID 105061300

IUPAC4-[2-(2-methoxyethylsulfanyl)ethyl]piperidine
SMILESCOCCSCCC1CCNCC1
InChIInChI=1S/C10H21NOS/c1-12-7-9-13-8-4-10-2-5-11-6-3-10/h10-11H,2-9H2,1H3
InChIKeyIPGHPARQTOYTEZ-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.76
Rot. Bonds6

About 4-[2-(2-methoxyethylsulfanyl)ethyl]piperidine

4-[2-(2-methoxyethylsulfanyl)ethyl]piperidine (PubChem CID 105061300) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 4-[2-(2-methoxyethylsulfanyl)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(2-methoxyethylsulfanyl)ethyl]piperidine
PubChem CID105061300
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name4-[2-(2-methoxyethylsulfanyl)ethyl]piperidine
SMILESCOCCSCCC1CCNCC1
InChIInChI=1S/C10H21NOS/c1-12-7-9-13-8-4-10-2-5-11-6-3-10/h10-11H,2-9H2,1H3
InChIKeyIPGHPARQTOYTEZ-UHFFFAOYSA-N
XLogP1.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.76
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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Related Compounds

4-((Ethylsulfanyl)methyl)piperidine hydrochloride
CID 72716513
4-[(Ethylsulfanyl)methyl]piperidine
CID 61683930
S-(piperidin-4-ylmethyl) ethanethioate
CID 20140797
2-(Piperidin-4-ylmethylsulfanyl)ethanol;hydrobromide
CID 20295339
2-(Piperidin-4-ylmethylsulfanyl)ethanol
CID 20295340
4-(3-Methylbutylsulfanyl)piperidine
CID 20735397
4-(6-Methoxyhexylthio)piperidine
CID 22494778
4-[(Propan-2-ylsulfanyl)methyl]piperidine
CID 57742567
4-(1-Propan-2-ylsulfanylethyl)piperidine
CID 57742753
4-[(Tert-butylsulfanyl)methyl]piperidine
CID 57742821
S-(2-piperidin-1-ium-4-ylethyl) ethanethioate
CID 58707539
S-(2-piperidin-4-ylethyl) ethanethioate
CID 58707540

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethylsulfanyl)ethyl]piperidine?
The IUPAC name of 4-[2-(2-methoxyethylsulfanyl)ethyl]piperidine (CID 105061300) is 4-[2-(2-methoxyethylsulfanyl)ethyl]piperidine.
What is the SMILES notation for 4-[2-(2-methoxyethylsulfanyl)ethyl]piperidine?
The canonical SMILES for 4-[2-(2-methoxyethylsulfanyl)ethyl]piperidine is COCCSCCC1CCNCC1.
What is the InChIKey of 4-[2-(2-methoxyethylsulfanyl)ethyl]piperidine?
The InChIKey is IPGHPARQTOYTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-12-7-9-13-8-4-10-2-5-11-6-3-10/h10-11H,2-9H2,1H3.
What are the key properties of 4-[2-(2-methoxyethylsulfanyl)ethyl]piperidine?
4-[2-(2-methoxyethylsulfanyl)ethyl]piperidine has a molecular weight of 203.35 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethylsulfanyl)ethyl]piperidine is sourced from PubChem (CID 105061300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).