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

C12H17NOS — CID 84688727

IUPAC2-(2-pyrrolidin-2-ylethylsulfanyl)phenol
SMILESOc1ccccc1SCCC1CCCN1
InChIInChI=1S/C12H17NOS/c14-11-5-1-2-6-12(11)15-9-7-10-4-3-8-13-10/h1-2,5-6,10,13-14H,3-4,7-9H2
InChIKeyANKYODPOGGTTEF-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.63
Rot. Bonds4

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

2-(2-pyrrolidin-2-ylethylsulfanyl)phenol (PubChem CID 84688727) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(2-pyrrolidin-2-ylethylsulfanyl)phenol.

Molecular Properties

Compound Name2-(2-pyrrolidin-2-ylethylsulfanyl)phenol
PubChem CID84688727
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name2-(2-pyrrolidin-2-ylethylsulfanyl)phenol
SMILESOc1ccccc1SCCC1CCCN1
InChIInChI=1S/C12H17NOS/c14-11-5-1-2-6-12(11)15-9-7-10-4-3-8-13-10/h1-2,5-6,10,13-14H,3-4,7-9H2
InChIKeyANKYODPOGGTTEF-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-(2-fluorophenyl)sulfanylethyl]pyrrolidine
CID 84690030
3-(2-pyrrolidin-2-ylethylsulfanyl)phenol
CID 84688729
2-(2-phenylsulfanylethyl)azepane
CID 79223210
2-(azetidin-2-ylmethylsulfanyl)phenol
CID 115070924
(2S)-2-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine
CID 97301377
4-fluoro-2-(2-piperidin-2-ylethylsulfanyl)aniline
CID 79143656
4-bromo-2-(2-piperidin-2-ylethylsulfanyl)aniline
CID 79533405
2-[2-(4-fluorophenyl)sulfanylethyl]piperidine;hydrochloride
CID 72716584
2-(pyrrolidin-2-ylmethylsulfanylmethyl)phenol
CID 115071010
2-(3-pyrrolidin-2-ylpropylsulfanyl)pyridine
CID 62480493
2-[(pyrrolidin-2-ylmethylamino)methyl]phenol
CID 103846509
2-(2-methylsulfanylethyl)pyrrolidine
CID 81142989

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-2-ylethylsulfanyl)phenol?
The IUPAC name of 2-(2-pyrrolidin-2-ylethylsulfanyl)phenol (CID 84688727) is 2-(2-pyrrolidin-2-ylethylsulfanyl)phenol.
What is the SMILES notation for 2-(2-pyrrolidin-2-ylethylsulfanyl)phenol?
The canonical SMILES for 2-(2-pyrrolidin-2-ylethylsulfanyl)phenol is Oc1ccccc1SCCC1CCCN1.
What is the InChIKey of 2-(2-pyrrolidin-2-ylethylsulfanyl)phenol?
The InChIKey is ANKYODPOGGTTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c14-11-5-1-2-6-12(11)15-9-7-10-4-3-8-13-10/h1-2,5-6,10,13-14H,3-4,7-9H2.
What are the key properties of 2-(2-pyrrolidin-2-ylethylsulfanyl)phenol?
2-(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 2-(2-pyrrolidin-2-ylethylsulfanyl)phenol is sourced from PubChem (CID 84688727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).