4-[4-[(3-methoxy-3-methylazetidin-1-yl)methyl]phenyl]sulfinylmorpholine

C16H24N2O3S — CID 163258019

IUPAC4-[4-[(3-methoxy-3-methylazetidin-1-yl)methyl]phenyl]sulfinylmorpholine
SMILESCOC1(C)CN(Cc2ccc(S(=O)N3CCOCC3)cc2)C1
InChIInChI=1S/C16H24N2O3S/c1-16(20-2)12-17(13-16)11-14-3-5-15(6-4-14)22(19)18-7-9-21-10-8-18/h3-6H,7-13H2,1-2H3
InChIKeyIJGHZMWPWOZASI-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.26
Rot. Bonds5

About 4-[4-[(3-methoxy-3-methylazetidin-1-yl)methyl]phenyl]sulfinylmorpholine

4-[4-[(3-methoxy-3-methylazetidin-1-yl)methyl]phenyl]sulfinylmorpholine (PubChem CID 163258019) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-[4-[(3-methoxy-3-methylazetidin-1-yl)methyl]phenyl]sulfinylmorpholine.

Molecular Properties

Compound Name4-[4-[(3-methoxy-3-methylazetidin-1-yl)methyl]phenyl]sulfinylmorpholine
PubChem CID163258019
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name4-[4-[(3-methoxy-3-methylazetidin-1-yl)methyl]phenyl]sulfinylmorpholine
SMILESCOC1(C)CN(Cc2ccc(S(=O)N3CCOCC3)cc2)C1
InChIInChI=1S/C16H24N2O3S/c1-16(20-2)12-17(13-16)11-14-3-5-15(6-4-14)22(19)18-7-9-21-10-8-18/h3-6H,7-13H2,1-2H3
InChIKeyIJGHZMWPWOZASI-UHFFFAOYSA-N
XLogP1.26
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 169307442
4-(4-methylsulfanylphenyl)sulfinylmorpholine
CID 132571734
2-methoxy-5-[(3-methoxy-3-methylazetidin-1-yl)methyl]pyrimidine
CID 169307476
4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]benzoic acid
CID 107393386
4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
CID 107390674
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
N-methoxy-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 117345350
methyl 2-[N-methyl-4-(morpholin-4-ylmethyl)anilino]acetate
CID 82538034
4-[4-[[3-methyl-3-(2-methylpropyl)azetidin-1-yl]methyl]phenyl]sulfonylmorpholine
CID 163259232
4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine
CID 59743834
dilithium;4-benzylmorpholine;sulfite
CID 160525639
2-[2,5,5-trimethyl-3-(4-morpholin-4-ylsulfinylphenyl)sulfanyl-6,7-dihydro-4H-indol-1-yl]acetaldehyde
CID 143971575

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-methoxy-3-methylazetidin-1-yl)methyl]phenyl]sulfinylmorpholine?
The IUPAC name of 4-[4-[(3-methoxy-3-methylazetidin-1-yl)methyl]phenyl]sulfinylmorpholine (CID 163258019) is 4-[4-[(3-methoxy-3-methylazetidin-1-yl)methyl]phenyl]sulfinylmorpholine.
What is the SMILES notation for 4-[4-[(3-methoxy-3-methylazetidin-1-yl)methyl]phenyl]sulfinylmorpholine?
The canonical SMILES for 4-[4-[(3-methoxy-3-methylazetidin-1-yl)methyl]phenyl]sulfinylmorpholine is COC1(C)CN(Cc2ccc(S(=O)N3CCOCC3)cc2)C1.
What is the InChIKey of 4-[4-[(3-methoxy-3-methylazetidin-1-yl)methyl]phenyl]sulfinylmorpholine?
The InChIKey is IJGHZMWPWOZASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-16(20-2)12-17(13-16)11-14-3-5-15(6-4-14)22(19)18-7-9-21-10-8-18/h3-6H,7-13H2,1-2H3.
What are the key properties of 4-[4-[(3-methoxy-3-methylazetidin-1-yl)methyl]phenyl]sulfinylmorpholine?
4-[4-[(3-methoxy-3-methylazetidin-1-yl)methyl]phenyl]sulfinylmorpholine has a molecular weight of 324.45 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-methoxy-3-methylazetidin-1-yl)methyl]phenyl]sulfinylmorpholine is sourced from PubChem (CID 163258019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).