1-methyl-2-[2-(4-methylsulfanylphenoxy)ethyl]pyrrolidine

C14H21NOS — CID 23339207

IUPAC1-methyl-2-[2-(4-methylsulfanylphenoxy)ethyl]pyrrolidine
SMILESCSc1ccc(OCCC2CCCN2C)cc1
InChIInChI=1S/C14H21NOS/c1-15-10-3-4-12(15)9-11-16-13-5-7-14(17-2)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3
InChIKeyFXTRSYZXADZOJY-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.27
Rot. Bonds5

About 1-methyl-2-[2-(4-methylsulfanylphenoxy)ethyl]pyrrolidine

1-methyl-2-[2-(4-methylsulfanylphenoxy)ethyl]pyrrolidine (PubChem CID 23339207) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-methyl-2-[2-(4-methylsulfanylphenoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-methyl-2-[2-(4-methylsulfanylphenoxy)ethyl]pyrrolidine
PubChem CID23339207
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name1-methyl-2-[2-(4-methylsulfanylphenoxy)ethyl]pyrrolidine
SMILESCSc1ccc(OCCC2CCCN2C)cc1
InChIInChI=1S/C14H21NOS/c1-15-10-3-4-12(15)9-11-16-13-5-7-14(17-2)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3
InChIKeyFXTRSYZXADZOJY-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-(Cyclopropylmethyl)-4-[(4-methylsulfanylphenoxy)methyl]piperidine;hydrochloride
CID 10381812
1-(Cyclopropylmethyl)-3-methyl-3-(4-methylsulfanylphenoxy)pyrrolidine
CID 155523230
4-[3-(4-Butoxyphenyl)sulfanylpropyl]morpholine
CID 232585
1-Methyl-4-(4-phenylsulfanylphenoxy)piperidine;hydrochloride
CID 14400559
Triethylamine, 2-((p-methoxyphenyl)thio)-, hydrochloride
CID 3066135
4-(4-Methoxyphenyl)sulfanyl-1-(oxan-4-yl)piperidine
CID 45489095
(3r)-1-(Cyclopropylmethyl)-3-Methyl-3-(4-Methylsulfanylphenoxy)pyrrolidine
CID 91754979
p-Methoxyphenyl 4-piperidinobutyl sulfide
CID 12224914
4-[2-(4-Methylsulfanylphenoxy)ethyl]morpholine
CID 86992155
1-[4-(4-Ethoxyphenyl)sulfanylbut-2-ynyl]piperidine
CID 457201
1-[4-(4-Propoxyphenyl)sulfanylbut-2-ynyl]piperidine
CID 457203
1-[4-(4-Butoxyphenyl)sulfanylbut-2-ynyl]piperidine
CID 457206

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-(4-methylsulfanylphenoxy)ethyl]pyrrolidine?
The IUPAC name of 1-methyl-2-[2-(4-methylsulfanylphenoxy)ethyl]pyrrolidine (CID 23339207) is 1-methyl-2-[2-(4-methylsulfanylphenoxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-methyl-2-[2-(4-methylsulfanylphenoxy)ethyl]pyrrolidine?
The canonical SMILES for 1-methyl-2-[2-(4-methylsulfanylphenoxy)ethyl]pyrrolidine is CSc1ccc(OCCC2CCCN2C)cc1.
What is the InChIKey of 1-methyl-2-[2-(4-methylsulfanylphenoxy)ethyl]pyrrolidine?
The InChIKey is FXTRSYZXADZOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-15-10-3-4-12(15)9-11-16-13-5-7-14(17-2)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3.
What are the key properties of 1-methyl-2-[2-(4-methylsulfanylphenoxy)ethyl]pyrrolidine?
1-methyl-2-[2-(4-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-(4-methylsulfanylphenoxy)ethyl]pyrrolidine is sourced from PubChem (CID 23339207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).