6-methyl-2-(2-methylpyrrolidin-2-yl)-3-methylsulfanylphenol

C13H19NOS — CID 117347875

IUPAC6-methyl-2-(2-methylpyrrolidin-2-yl)-3-methylsulfanylphenol
SMILESCSc1ccc(C)c(O)c1C1(C)CCCN1
InChIInChI=1S/C13H19NOS/c1-9-5-6-10(16-3)11(12(9)15)13(2)7-4-8-14-13/h5-6,14-15H,4,7-8H2,1-3H3
InChIKeyXNYWDIPIPQANTA-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.02
Rot. Bonds2

About 6-methyl-2-(2-methylpyrrolidin-2-yl)-3-methylsulfanylphenol

6-methyl-2-(2-methylpyrrolidin-2-yl)-3-methylsulfanylphenol (PubChem CID 117347875) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 6-methyl-2-(2-methylpyrrolidin-2-yl)-3-methylsulfanylphenol.

Molecular Properties

Compound Name6-methyl-2-(2-methylpyrrolidin-2-yl)-3-methylsulfanylphenol
PubChem CID117347875
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name6-methyl-2-(2-methylpyrrolidin-2-yl)-3-methylsulfanylphenol
SMILESCSc1ccc(C)c(O)c1C1(C)CCCN1
InChIInChI=1S/C13H19NOS/c1-9-5-6-10(16-3)11(12(9)15)13(2)7-4-8-14-13/h5-6,14-15H,4,7-8H2,1-3H3
InChIKeyXNYWDIPIPQANTA-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminocyclohexyl)-6-methyl-3-methylsulfanylphenol
CID 117382283
2-[1-(aminomethyl)cyclobutyl]-6-methyl-3-methylsulfanylphenol
CID 117347815
3-chloro-5-methyl-4-(2-methylpyrrolidin-2-yl)benzene-1,2-diol
CID 117356258
3-chloro-6-methoxy-2-(2-methylpyrrolidin-2-yl)phenol
CID 117356265
4-(2-methylpyrrolidin-2-yl)phenol
CID 82599572
2-(3-chloro-2,6-difluorophenyl)-2-methylpyrrolidine
CID 117335369
4-fluoro-2-methoxy-3,5-dimethyl-6-(2-methylpyrrolidin-2-yl)phenol
CID 117386397
2-chloro-6-fluoro-3-methyl-5-(2-methylpyrrolidin-2-yl)phenol
CID 117361379
2-(2-bromo-3-methylphenyl)-2-methylpyrrolidine
CID 117388194
2-bromo-3,4-dimethyl-6-(2-methylpyrrolidin-2-yl)phenol
CID 117457129
6-chloro-2,3-difluoro-4-(2-methylpyrrolidin-2-yl)phenol
CID 117372312
2-(4-chloro-3-methylphenyl)-2-methylpyrrolidine
CID 117299725

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methylpyrrolidin-2-yl)-3-methylsulfanylphenol?
The IUPAC name of 6-methyl-2-(2-methylpyrrolidin-2-yl)-3-methylsulfanylphenol (CID 117347875) is 6-methyl-2-(2-methylpyrrolidin-2-yl)-3-methylsulfanylphenol.
What is the SMILES notation for 6-methyl-2-(2-methylpyrrolidin-2-yl)-3-methylsulfanylphenol?
The canonical SMILES for 6-methyl-2-(2-methylpyrrolidin-2-yl)-3-methylsulfanylphenol is CSc1ccc(C)c(O)c1C1(C)CCCN1.
What is the InChIKey of 6-methyl-2-(2-methylpyrrolidin-2-yl)-3-methylsulfanylphenol?
The InChIKey is XNYWDIPIPQANTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-9-5-6-10(16-3)11(12(9)15)13(2)7-4-8-14-13/h5-6,14-15H,4,7-8H2,1-3H3.
What are the key properties of 6-methyl-2-(2-methylpyrrolidin-2-yl)-3-methylsulfanylphenol?
6-methyl-2-(2-methylpyrrolidin-2-yl)-3-methylsulfanylphenol has a molecular weight of 237.37 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methylpyrrolidin-2-yl)-3-methylsulfanylphenol is sourced from PubChem (CID 117347875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).