3-[(4-methylmorpholin-2-yl)methylsulfanyl]phenol

C12H17NO2S — CID 104590668

IUPAC3-[(4-methylmorpholin-2-yl)methylsulfanyl]phenol
SMILESCN1CCOC(CSc2cccc(O)c2)C1
InChIInChI=1S/C12H17NO2S/c1-13-5-6-15-11(8-13)9-16-12-4-2-3-10(14)7-12/h2-4,7,11,14H,5-6,8-9H2,1H3
InChIKeyHKGKMUXLDQKOLJ-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.81
Rot. Bonds3

About 3-[(4-methylmorpholin-2-yl)methylsulfanyl]phenol

3-[(4-methylmorpholin-2-yl)methylsulfanyl]phenol (PubChem CID 104590668) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-[(4-methylmorpholin-2-yl)methylsulfanyl]phenol.

Molecular Properties

Compound Name3-[(4-methylmorpholin-2-yl)methylsulfanyl]phenol
PubChem CID104590668
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name3-[(4-methylmorpholin-2-yl)methylsulfanyl]phenol
SMILESCN1CCOC(CSc2cccc(O)c2)C1
InChIInChI=1S/C12H17NO2S/c1-13-5-6-15-11(8-13)9-16-12-4-2-3-10(14)7-12/h2-4,7,11,14H,5-6,8-9H2,1H3
InChIKeyHKGKMUXLDQKOLJ-UHFFFAOYSA-N
XLogP1.81
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]methanamine
CID 113384740
2-fluoro-4-[(4-methylmorpholin-2-yl)methylsulfanyl]aniline
CID 79171948
4-[(4-methylmorpholin-2-yl)methylsulfanyl]pyridine-2-carboxylic acid
CID 79554802
3-[1-[(4-methylmorpholin-2-yl)methylamino]ethyl]phenol
CID 79083417
1-[4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]ethanamine
CID 79183022
2-[(4-methylmorpholin-2-yl)methylsulfanyl]benzoic acid
CID 79165122
3-fluoro-5-[(4-methylmorpholin-2-yl)methylsulfanyl]aniline
CID 79171556
3-(cyclopropylmethylsulfanyl)phenol
CID 112623566
3-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]benzoic acid
CID 64535093
3-[(4-ethylmorpholin-2-yl)methylsulfanyl]benzaldehyde
CID 79182841
3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 79086384
4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]phenol
CID 54911442

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylmorpholin-2-yl)methylsulfanyl]phenol?
The IUPAC name of 3-[(4-methylmorpholin-2-yl)methylsulfanyl]phenol (CID 104590668) is 3-[(4-methylmorpholin-2-yl)methylsulfanyl]phenol.
What is the SMILES notation for 3-[(4-methylmorpholin-2-yl)methylsulfanyl]phenol?
The canonical SMILES for 3-[(4-methylmorpholin-2-yl)methylsulfanyl]phenol is CN1CCOC(CSc2cccc(O)c2)C1.
What is the InChIKey of 3-[(4-methylmorpholin-2-yl)methylsulfanyl]phenol?
The InChIKey is HKGKMUXLDQKOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-13-5-6-15-11(8-13)9-16-12-4-2-3-10(14)7-12/h2-4,7,11,14H,5-6,8-9H2,1H3.
What are the key properties of 3-[(4-methylmorpholin-2-yl)methylsulfanyl]phenol?
3-[(4-methylmorpholin-2-yl)methylsulfanyl]phenol has a molecular weight of 239.34 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylmorpholin-2-yl)methylsulfanyl]phenol is sourced from PubChem (CID 104590668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).