2-[2-(4-ethylsulfanylphenoxy)ethyl]-1-methylpyrrolidine

C15H23NOS — CID 23339472

IUPAC2-[2-(4-ethylsulfanylphenoxy)ethyl]-1-methylpyrrolidine
SMILESCCSc1ccc(OCCC2CCCN2C)cc1
InChIInChI=1S/C15H23NOS/c1-3-18-15-8-6-14(7-9-15)17-12-10-13-5-4-11-16(13)2/h6-9,13H,3-5,10-12H2,1-2H3
InChIKeySYNFMMXLXOERSH-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.66
Rot. Bonds6

About 2-[2-(4-ethylsulfanylphenoxy)ethyl]-1-methylpyrrolidine

2-[2-(4-ethylsulfanylphenoxy)ethyl]-1-methylpyrrolidine (PubChem CID 23339472) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-[2-(4-ethylsulfanylphenoxy)ethyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name2-[2-(4-ethylsulfanylphenoxy)ethyl]-1-methylpyrrolidine
PubChem CID23339472
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name2-[2-(4-ethylsulfanylphenoxy)ethyl]-1-methylpyrrolidine
SMILESCCSc1ccc(OCCC2CCCN2C)cc1
InChIInChI=1S/C15H23NOS/c1-3-18-15-8-6-14(7-9-15)17-12-10-13-5-4-11-16(13)2/h6-9,13H,3-5,10-12H2,1-2H3
InChIKeySYNFMMXLXOERSH-UHFFFAOYSA-N
XLogP3.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylsulfanylphenoxy)ethyl]-1-methylpyrrolidine?
The IUPAC name of 2-[2-(4-ethylsulfanylphenoxy)ethyl]-1-methylpyrrolidine (CID 23339472) is 2-[2-(4-ethylsulfanylphenoxy)ethyl]-1-methylpyrrolidine.
What is the SMILES notation for 2-[2-(4-ethylsulfanylphenoxy)ethyl]-1-methylpyrrolidine?
The canonical SMILES for 2-[2-(4-ethylsulfanylphenoxy)ethyl]-1-methylpyrrolidine is CCSc1ccc(OCCC2CCCN2C)cc1.
What is the InChIKey of 2-[2-(4-ethylsulfanylphenoxy)ethyl]-1-methylpyrrolidine?
The InChIKey is SYNFMMXLXOERSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-3-18-15-8-6-14(7-9-15)17-12-10-13-5-4-11-16(13)2/h6-9,13H,3-5,10-12H2,1-2H3.
What are the key properties of 2-[2-(4-ethylsulfanylphenoxy)ethyl]-1-methylpyrrolidine?
2-[2-(4-ethylsulfanylphenoxy)ethyl]-1-methylpyrrolidine has a molecular weight of 265.42 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylsulfanylphenoxy)ethyl]-1-methylpyrrolidine is sourced from PubChem (CID 23339472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).