3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-ethylsulfanylethyl]pyrrolidine

C15H22ClNOS — CID 66859931

IUPAC3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-ethylsulfanylethyl]pyrrolidine
SMILESCCSC[C@H](Oc1cccc(Cl)c1C)C1CCNC1
InChIInChI=1S/C15H22ClNOS/c1-3-19-10-15(12-7-8-17-9-12)18-14-6-4-5-13(16)11(14)2/h4-6,12,15,17H,3,7-10H2,1-2H3/t12?,15-/m0/s1
InChIKeyQLFHYNUXHIXRQM-CVRLYYSRSA-N
MW299.87 g/mol
LogP3.76
Rot. Bonds6

About 3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-ethylsulfanylethyl]pyrrolidine

3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-ethylsulfanylethyl]pyrrolidine (PubChem CID 66859931) has the molecular formula C15H22ClNOS and a molecular weight of 299.87 g/mol. Its IUPAC name is 3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-ethylsulfanylethyl]pyrrolidine.

Molecular Properties

Compound Name3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-ethylsulfanylethyl]pyrrolidine
PubChem CID66859931
Molecular FormulaC15H22ClNOS
Molecular Weight299.87 g/mol
Exact Mass299.11
IUPAC Name3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-ethylsulfanylethyl]pyrrolidine
SMILESCCSC[C@H](Oc1cccc(Cl)c1C)C1CCNC1
InChIInChI=1S/C15H22ClNOS/c1-3-19-10-15(12-7-8-17-9-12)18-14-6-4-5-13(16)11(14)2/h4-6,12,15,17H,3,7-10H2,1-2H3/t12?,15-/m0/s1
InChIKeyQLFHYNUXHIXRQM-CVRLYYSRSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.87
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-ethylsulfanylethyl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(3-chloro-2-methylphenoxy)-3-methylbutyl]pyrrolidine
CID 77163909
3-[(1S)-1-(2,3-dichlorophenoxy)-2-methylsulfanylethyl]pyrrolidine
CID 66848829
3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-phenylmethoxyethyl]pyrrolidine
CID 66860125
3-[(3-chloro-2-methylphenoxy)-cyclopropylmethyl]pyrrolidine
CID 76656768
(3S)-3-[(1R)-1-(2-chlorophenoxy)butyl]pyrrolidine
CID 66892158
(3S)-3-[(1R)-1-(3-chloro-2-fluorophenoxy)butyl]pyrrolidine
CID 66891122
(3S)-3-[(1R)-1-(3-chloro-2-fluorophenoxy)-3-methylbutyl]pyrrolidine
CID 66892688
(3S)-3-[(1S)-1-(2,4-dichlorophenoxy)-2-propan-2-ylsulfanylethyl]pyrrolidine
CID 66848764
3-[(1R)-2-ethylsulfanyl-1-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 66861082
(3R)-3-[(1S)-1-[3-chloro-2-(trifluoromethyl)phenoxy]butyl]pyrrolidine
CID 66892340
(3R)-3-[(1S)-1-(2,6-dichlorophenoxy)butyl]pyrrolidine
CID 66892587
2-[(S)-(3-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole
CID 66752695

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-ethylsulfanylethyl]pyrrolidine?
The IUPAC name of 3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-ethylsulfanylethyl]pyrrolidine (CID 66859931) is 3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-ethylsulfanylethyl]pyrrolidine.
What is the SMILES notation for 3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-ethylsulfanylethyl]pyrrolidine?
The canonical SMILES for 3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-ethylsulfanylethyl]pyrrolidine is CCSC[C@H](Oc1cccc(Cl)c1C)C1CCNC1.
What is the InChIKey of 3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-ethylsulfanylethyl]pyrrolidine?
The InChIKey is QLFHYNUXHIXRQM-CVRLYYSRSA-N. The full InChI is InChI=1S/C15H22ClNOS/c1-3-19-10-15(12-7-8-17-9-12)18-14-6-4-5-13(16)11(14)2/h4-6,12,15,17H,3,7-10H2,1-2H3/t12?,15-/m0/s1.
What are the key properties of 3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-ethylsulfanylethyl]pyrrolidine?
3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-ethylsulfanylethyl]pyrrolidine has a molecular weight of 299.87 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-ethylsulfanylethyl]pyrrolidine is sourced from PubChem (CID 66859931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).