2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]pyrrolidine

C14H21NO2S — CID 117422294

IUPAC2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]pyrrolidine
SMILESCOc1ccc(CC2CCCN2)c(OC)c1SC
InChIInChI=1S/C14H21NO2S/c1-16-12-7-6-10(9-11-5-4-8-15-11)13(17-2)14(12)18-3/h6-7,11,15H,4-5,8-9H2,1-3H3
InChIKeyYINQXIAWIHSBKX-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.72
Rot. Bonds5

About 2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]pyrrolidine

2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]pyrrolidine (PubChem CID 117422294) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]pyrrolidine
PubChem CID117422294
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]pyrrolidine
SMILESCOc1ccc(CC2CCCN2)c(OC)c1SC
InChIInChI=1S/C14H21NO2S/c1-16-12-7-6-10(9-11-5-4-8-15-11)13(17-2)14(12)18-3/h6-7,11,15H,4-5,8-9H2,1-3H3
InChIKeyYINQXIAWIHSBKX-UHFFFAOYSA-N
XLogP2.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]piperidine
CID 117451909
3-methoxy-2-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117316525
2-[(2,3,6-trimethoxyphenyl)methyl]piperidine
CID 117417665
2-[(6-ethyl-2,3-dimethoxyphenyl)methyl]piperidine
CID 117413480
2-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine
CID 84812952
2-[(7-methoxy-1-benzothiophen-4-yl)methyl]piperidine
CID 117408519
6-chloro-2-methoxy-3-(pyrrolidin-2-ylmethyl)phenol
CID 117356192
2-chloro-3-methoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 84801195
2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine
CID 117366133
2-[(2,6-dimethoxy-3-methylphenyl)methyl]piperidine
CID 117377139
2-[(2,4-difluoro-3-methoxyphenyl)methyl]piperidine
CID 117355168
2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine
CID 117371410

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]pyrrolidine (CID 117422294) is 2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]pyrrolidine is COc1ccc(CC2CCCN2)c(OC)c1SC.
What is the InChIKey of 2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]pyrrolidine?
The InChIKey is YINQXIAWIHSBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-16-12-7-6-10(9-11-5-4-8-15-11)13(17-2)14(12)18-3/h6-7,11,15H,4-5,8-9H2,1-3H3.
What are the key properties of 2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]pyrrolidine?
2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]pyrrolidine has a molecular weight of 267.39 g/mol, XLogP of 2.72, 5 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)methyl]pyrrolidine is sourced from PubChem (CID 117422294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).