3-(2-pyrrolidin-2-ylethylsulfanyl)phenol

C12H17NOS — CID 84688729

IUPAC3-(2-pyrrolidin-2-ylethylsulfanyl)phenol
SMILESOc1cccc(SCCC2CCCN2)c1
InChIInChI=1S/C12H17NOS/c14-11-4-1-5-12(9-11)15-8-6-10-3-2-7-13-10/h1,4-5,9-10,13-14H,2-3,6-8H2
InChIKeySQQHGUUHKOZOGG-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.63
Rot. Bonds4

About 3-(2-pyrrolidin-2-ylethylsulfanyl)phenol

3-(2-pyrrolidin-2-ylethylsulfanyl)phenol (PubChem CID 84688729) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 3-(2-pyrrolidin-2-ylethylsulfanyl)phenol.

Molecular Properties

Compound Name3-(2-pyrrolidin-2-ylethylsulfanyl)phenol
PubChem CID84688729
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name3-(2-pyrrolidin-2-ylethylsulfanyl)phenol
SMILESOc1cccc(SCCC2CCCN2)c1
InChIInChI=1S/C12H17NOS/c14-11-4-1-5-12(9-11)15-8-6-10-3-2-7-13-10/h1,4-5,9-10,13-14H,2-3,6-8H2
InChIKeySQQHGUUHKOZOGG-UHFFFAOYSA-N
XLogP2.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-phenylsulfanylethyl)azepane
CID 79223210
2-(2-pyrrolidin-2-ylethylsulfanyl)phenol
CID 84688727
2-[2-(4-fluorophenyl)sulfanylethyl]piperidine;hydrochloride
CID 72716584
2-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidine
CID 84690030
(2S)-2-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine
CID 97301377
3-(2-phenylsulfanylethylsulfanyl)phenol
CID 104590604
1-(3-hydroxyphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563570
3-[methyl(pyrrolidin-2-ylmethyl)amino]phenol
CID 84674469
2-[3-(4-bromophenyl)sulfanylpropyl]pyrrolidine
CID 62478365
3-(2-fluoro-1-pyrrolidin-2-ylpropan-2-yl)phenol
CID 105480753
2-(difluoromethyl)-6-(pyrrolidin-2-ylmethyl)phenol
CID 84691153
3-(2-morpholin-4-ylethylsulfanyl)phenol
CID 104590753

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrrolidin-2-ylethylsulfanyl)phenol?
The IUPAC name of 3-(2-pyrrolidin-2-ylethylsulfanyl)phenol (CID 84688729) is 3-(2-pyrrolidin-2-ylethylsulfanyl)phenol.
What is the SMILES notation for 3-(2-pyrrolidin-2-ylethylsulfanyl)phenol?
The canonical SMILES for 3-(2-pyrrolidin-2-ylethylsulfanyl)phenol is Oc1cccc(SCCC2CCCN2)c1.
What is the InChIKey of 3-(2-pyrrolidin-2-ylethylsulfanyl)phenol?
The InChIKey is SQQHGUUHKOZOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c14-11-4-1-5-12(9-11)15-8-6-10-3-2-7-13-10/h1,4-5,9-10,13-14H,2-3,6-8H2.
What are the key properties of 3-(2-pyrrolidin-2-ylethylsulfanyl)phenol?
3-(2-pyrrolidin-2-ylethylsulfanyl)phenol has a molecular weight of 223.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrrolidin-2-ylethylsulfanyl)phenol is sourced from PubChem (CID 84688729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).