3-(2-morpholin-4-ylethylsulfanyl)phenol

C12H17NO2S — CID 104590753

IUPAC3-(2-morpholin-4-ylethylsulfanyl)phenol
SMILESOc1cccc(SCCN2CCOCC2)c1
InChIInChI=1S/C12H17NO2S/c14-11-2-1-3-12(10-11)16-9-6-13-4-7-15-8-5-13/h1-3,10,14H,4-9H2
InChIKeySTEFYFZIDQZTOF-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.82
Rot. Bonds4

About 3-(2-morpholin-4-ylethylsulfanyl)phenol

3-(2-morpholin-4-ylethylsulfanyl)phenol (PubChem CID 104590753) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethylsulfanyl)phenol.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethylsulfanyl)phenol
PubChem CID104590753
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name3-(2-morpholin-4-ylethylsulfanyl)phenol
SMILESOc1cccc(SCCN2CCOCC2)c1
InChIInChI=1S/C12H17NO2S/c14-11-2-1-3-12(10-11)16-9-6-13-4-7-15-8-5-13/h1-3,10,14H,4-9H2
InChIKeySTEFYFZIDQZTOF-UHFFFAOYSA-N
XLogP1.82
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-morpholin-4-ylethylsulfanyl)phenyl]methanamine
CID 66355170
2-(3-hydroxyphenyl)sulfanyl-1-morpholin-4-ylethanone
CID 113430046
3-(2-morpholin-4-ylethyl)phenol
CID 82187913
4-[2-(4-methylphenyl)sulfanylethyl]morpholine
CID 21317501
2-methyl-4-(2-morpholin-4-ylethylsulfanyl)aniline
CID 79148751
4-(4-phenylsulfanylbutyl)morpholine
CID 2993740
4-[2-[2-chloro-5-(2-morpholin-4-ylethylsulfanyl)phenyl]sulfanylethyl]morpholine;methanesulfonic acid
CID 21163755
3-[2-(3-hydroxyphenyl)sulfanylethyl]imidazolidine-2,4-dione
CID 104590336
4-(2-hydroxysulfanylethyl)morpholine
CID 166162246
cyclopropyl-[4-(2-morpholin-4-ylethylsulfanyl)phenyl]methanone
CID 82165144
3-[4-(2-morpholin-4-ylethyl)phenyl]phenol
CID 70092617
3-[(4-methylmorpholin-2-yl)methylsulfanyl]phenol
CID 104590668

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethylsulfanyl)phenol?
The IUPAC name of 3-(2-morpholin-4-ylethylsulfanyl)phenol (CID 104590753) is 3-(2-morpholin-4-ylethylsulfanyl)phenol.
What is the SMILES notation for 3-(2-morpholin-4-ylethylsulfanyl)phenol?
The canonical SMILES for 3-(2-morpholin-4-ylethylsulfanyl)phenol is Oc1cccc(SCCN2CCOCC2)c1.
What is the InChIKey of 3-(2-morpholin-4-ylethylsulfanyl)phenol?
The InChIKey is STEFYFZIDQZTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c14-11-2-1-3-12(10-11)16-9-6-13-4-7-15-8-5-13/h1-3,10,14H,4-9H2.
What are the key properties of 3-(2-morpholin-4-ylethylsulfanyl)phenol?
3-(2-morpholin-4-ylethylsulfanyl)phenol has a molecular weight of 239.34 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethylsulfanyl)phenol is sourced from PubChem (CID 104590753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).