2-methyl-4-methylsulfanyl-5-pyrrolidin-2-ylphenol

C12H17NOS — CID 117320762

IUPAC2-methyl-4-methylsulfanyl-5-pyrrolidin-2-ylphenol
SMILESCSc1cc(C)c(O)cc1C1CCCN1
InChIInChI=1S/C12H17NOS/c1-8-6-12(15-2)9(7-11(8)14)10-4-3-5-13-10/h6-7,10,13-14H,3-5H2,1-2H3
InChIKeyQFXDIVSITSLNBB-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.85
Rot. Bonds2

About 2-methyl-4-methylsulfanyl-5-pyrrolidin-2-ylphenol

2-methyl-4-methylsulfanyl-5-pyrrolidin-2-ylphenol (PubChem CID 117320762) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-methyl-4-methylsulfanyl-5-pyrrolidin-2-ylphenol.

Molecular Properties

Compound Name2-methyl-4-methylsulfanyl-5-pyrrolidin-2-ylphenol
PubChem CID117320762
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name2-methyl-4-methylsulfanyl-5-pyrrolidin-2-ylphenol
SMILESCSc1cc(C)c(O)cc1C1CCCN1
InChIInChI=1S/C12H17NOS/c1-8-6-12(15-2)9(7-11(8)14)10-4-3-5-13-10/h6-7,10,13-14H,3-5H2,1-2H3
InChIKeyQFXDIVSITSLNBB-UHFFFAOYSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-methyl-5-piperidin-2-ylphenol
CID 84780709
5-methyl-2-pyrrolidin-2-ylphenol
CID 55283329
2-methyl-4-pyrrolidin-2-ylphenol
CID 55283669
2-[3,4,5-tris(methylsulfanyl)phenyl]pyrrolidine
CID 117460049
4-bromo-2-methyl-6-pyrrolidin-2-ylphenol
CID 117393322
(2S)-2-(2-methylsulfanylphenyl)piperidine
CID 7048099
2,3,5-trimethyl-4-pyrrolidin-2-ylphenol
CID 117116773
4-fluoro-2-pyrrolidin-2-ylphenol
CID 55283497
2-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)pyrrolidine
CID 117355654
4-methoxy-7-[(2R)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-ol
CID 66519356
2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)pyrrolidine
CID 117316900
2-methyl-4-[(2R)-piperidin-2-yl]phenol
CID 131198389

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylsulfanyl-5-pyrrolidin-2-ylphenol?
The IUPAC name of 2-methyl-4-methylsulfanyl-5-pyrrolidin-2-ylphenol (CID 117320762) is 2-methyl-4-methylsulfanyl-5-pyrrolidin-2-ylphenol.
What is the SMILES notation for 2-methyl-4-methylsulfanyl-5-pyrrolidin-2-ylphenol?
The canonical SMILES for 2-methyl-4-methylsulfanyl-5-pyrrolidin-2-ylphenol is CSc1cc(C)c(O)cc1C1CCCN1.
What is the InChIKey of 2-methyl-4-methylsulfanyl-5-pyrrolidin-2-ylphenol?
The InChIKey is QFXDIVSITSLNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-8-6-12(15-2)9(7-11(8)14)10-4-3-5-13-10/h6-7,10,13-14H,3-5H2,1-2H3.
What are the key properties of 2-methyl-4-methylsulfanyl-5-pyrrolidin-2-ylphenol?
2-methyl-4-methylsulfanyl-5-pyrrolidin-2-ylphenol has a molecular weight of 223.34 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylsulfanyl-5-pyrrolidin-2-ylphenol is sourced from PubChem (CID 117320762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).