1-methyl-2-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidine

C14H21NOS — CID 23339554

IUPAC1-methyl-2-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidine
SMILESCSc1ccccc1OCCC1CCCN1C
InChIInChI=1S/C14H21NOS/c1-15-10-5-6-12(15)9-11-16-13-7-3-4-8-14(13)17-2/h3-4,7-8,12H,5-6,9-11H2,1-2H3
InChIKeyGYNILTZSJJOEHZ-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.27
Rot. Bonds5

About 1-methyl-2-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidine

1-methyl-2-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidine (PubChem CID 23339554) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-methyl-2-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-methyl-2-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidine
PubChem CID23339554
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name1-methyl-2-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidine
SMILESCSc1ccccc1OCCC1CCCN1C
InChIInChI=1S/C14H21NOS/c1-15-10-5-6-12(15)9-11-16-13-7-3-4-8-14(13)17-2/h3-4,7-8,12H,5-6,9-11H2,1-2H3
InChIKeyGYNILTZSJJOEHZ-UHFFFAOYSA-N
XLogP3.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine
CID 23339324
2-[2-(2-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine
CID 23339385
2-[2-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine
CID 10499737
1-[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine
CID 107913183
2-methyl-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyridine
CID 70084803
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
(2R)-2-[2-[2-(4-chlorophenoxy)phenoxy]ethyl]-1-methylpyrrolidine
CID 124942694
2-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline
CID 104835031
2-fluoro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoic acid
CID 79510932
N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 107911038
N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 107911041
[2-bromo-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 114879953

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidine?
The IUPAC name of 1-methyl-2-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidine (CID 23339554) is 1-methyl-2-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-methyl-2-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidine?
The canonical SMILES for 1-methyl-2-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidine is CSc1ccccc1OCCC1CCCN1C.
What is the InChIKey of 1-methyl-2-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidine?
The InChIKey is GYNILTZSJJOEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-15-10-5-6-12(15)9-11-16-13-7-3-4-8-14(13)17-2/h3-4,7-8,12H,5-6,9-11H2,1-2H3.
What are the key properties of 1-methyl-2-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidine?
1-methyl-2-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidine has a molecular weight of 251.39 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidine is sourced from PubChem (CID 23339554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).