2-(2,4-dimethoxy-3-methylsulfanylphenyl)-2-methylpyrrolidine

C14H21NO2S — CID 117422224

IUPAC2-(2,4-dimethoxy-3-methylsulfanylphenyl)-2-methylpyrrolidine
SMILESCOc1ccc(C2(C)CCCN2)c(OC)c1SC
InChIInChI=1S/C14H21NO2S/c1-14(8-5-9-15-14)10-6-7-11(16-2)13(18-4)12(10)17-3/h6-7,15H,5,8-9H2,1-4H3
InChIKeyXYISPTDYWCIREO-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.02
Rot. Bonds4

About 2-(2,4-dimethoxy-3-methylsulfanylphenyl)-2-methylpyrrolidine

2-(2,4-dimethoxy-3-methylsulfanylphenyl)-2-methylpyrrolidine (PubChem CID 117422224) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-(2,4-dimethoxy-3-methylsulfanylphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(2,4-dimethoxy-3-methylsulfanylphenyl)-2-methylpyrrolidine
PubChem CID117422224
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-(2,4-dimethoxy-3-methylsulfanylphenyl)-2-methylpyrrolidine
SMILESCOc1ccc(C2(C)CCCN2)c(OC)c1SC
InChIInChI=1S/C14H21NO2S/c1-14(8-5-9-15-14)10-6-7-11(16-2)13(18-4)12(10)17-3/h6-7,15H,5,8-9H2,1-4H3
InChIKeyXYISPTDYWCIREO-UHFFFAOYSA-N
XLogP3.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxy-2-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117347870
2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-methylpyrrolidine
CID 117448348
2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine
CID 117313039
2-(3,4-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117326742
2-(4-chloro-2,3-dimethoxyphenyl)-2-methylpyrrolidine
CID 117392452
2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpyrrolidine
CID 117361392
2-(7-methoxy-2-methyl-1-benzofuran-4-yl)-2-methylpyrrolidine
CID 82622635
2-(2-methoxy-5-methylphenyl)-2-methylpyrrolidine
CID 66467357
2-(3-fluoro-2,4,5-trimethoxyphenyl)-2-methylpyrrolidine
CID 117426521
2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpyrrolidine
CID 117377238
3,4-dimethoxy-2-(2-methylpyrrolidin-2-yl)phenol
CID 117347144
2-(2,6-dimethoxyphenyl)-2-methylpyrrolidine
CID 116810545

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxy-3-methylsulfanylphenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(2,4-dimethoxy-3-methylsulfanylphenyl)-2-methylpyrrolidine (CID 117422224) is 2-(2,4-dimethoxy-3-methylsulfanylphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(2,4-dimethoxy-3-methylsulfanylphenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(2,4-dimethoxy-3-methylsulfanylphenyl)-2-methylpyrrolidine is COc1ccc(C2(C)CCCN2)c(OC)c1SC.
What is the InChIKey of 2-(2,4-dimethoxy-3-methylsulfanylphenyl)-2-methylpyrrolidine?
The InChIKey is XYISPTDYWCIREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-14(8-5-9-15-14)10-6-7-11(16-2)13(18-4)12(10)17-3/h6-7,15H,5,8-9H2,1-4H3.
What are the key properties of 2-(2,4-dimethoxy-3-methylsulfanylphenyl)-2-methylpyrrolidine?
2-(2,4-dimethoxy-3-methylsulfanylphenyl)-2-methylpyrrolidine has a molecular weight of 267.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxy-3-methylsulfanylphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 117422224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).