2-(3-methoxy-2-methylsulfanylphenyl)-2-methylpyrrolidine

C13H19NOS — CID 117347870

IUPAC2-(3-methoxy-2-methylsulfanylphenyl)-2-methylpyrrolidine
SMILESCOc1cccc(C2(C)CCCN2)c1SC
InChIInChI=1S/C13H19NOS/c1-13(8-5-9-14-13)10-6-4-7-11(15-2)12(10)16-3/h4,6-7,14H,5,8-9H2,1-3H3
InChIKeyUOPGONRAVUJSCW-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.02
Rot. Bonds3

About 2-(3-methoxy-2-methylsulfanylphenyl)-2-methylpyrrolidine

2-(3-methoxy-2-methylsulfanylphenyl)-2-methylpyrrolidine (PubChem CID 117347870) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-(3-methoxy-2-methylsulfanylphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(3-methoxy-2-methylsulfanylphenyl)-2-methylpyrrolidine
PubChem CID117347870
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name2-(3-methoxy-2-methylsulfanylphenyl)-2-methylpyrrolidine
SMILESCOc1cccc(C2(C)CCCN2)c1SC
InChIInChI=1S/C13H19NOS/c1-13(8-5-9-14-13)10-6-4-7-11(15-2)12(10)16-3/h4,6-7,14H,5,8-9H2,1-3H3
InChIKeyUOPGONRAVUJSCW-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethoxy-3-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117422224
2-(3-fluoro-2-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117324202
2-(2,6-dimethoxyphenyl)-2-methylpyrrolidine
CID 116810545
2-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpyrrolidine
CID 117320275
2-(2-bromo-6-methoxyphenyl)-2-methylpyrrolidine
CID 117428399
2-(2-methoxy-5-methylphenyl)-2-methylpyrrolidine
CID 66467357
1-(1-isocyanatocyclopentyl)-3-methoxy-2-methylsulfanylbenzene
CID 117413329
2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine
CID 117313039
2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpyrrolidine
CID 117361392
[2-(2-methoxyphenyl)pyrrolidin-2-yl]methanol
CID 115103415
2-(7-methoxy-1-benzothiophen-2-yl)-2-methylpyrrolidine
CID 82622961
2-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine
CID 117320154

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2-methylsulfanylphenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(3-methoxy-2-methylsulfanylphenyl)-2-methylpyrrolidine (CID 117347870) is 2-(3-methoxy-2-methylsulfanylphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(3-methoxy-2-methylsulfanylphenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(3-methoxy-2-methylsulfanylphenyl)-2-methylpyrrolidine is COc1cccc(C2(C)CCCN2)c1SC.
What is the InChIKey of 2-(3-methoxy-2-methylsulfanylphenyl)-2-methylpyrrolidine?
The InChIKey is UOPGONRAVUJSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-13(8-5-9-14-13)10-6-4-7-11(15-2)12(10)16-3/h4,6-7,14H,5,8-9H2,1-3H3.
What are the key properties of 2-(3-methoxy-2-methylsulfanylphenyl)-2-methylpyrrolidine?
2-(3-methoxy-2-methylsulfanylphenyl)-2-methylpyrrolidine has a molecular weight of 237.37 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2-methylsulfanylphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 117347870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).