4-(4-methylsulfanylphenyl)sulfinylmorpholine

C11H15NO2S2 — CID 132571734

IUPAC4-(4-methylsulfanylphenyl)sulfinylmorpholine
SMILESCSc1ccc(S(=O)N2CCOCC2)cc1
InChIInChI=1S/C11H15NO2S2/c1-15-10-2-4-11(5-3-10)16(13)12-6-8-14-9-7-12/h2-5H,6-9H2,1H3
InChIKeyPXCOPEMSEFBKDS-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.76
Rot. Bonds3

About 4-(4-methylsulfanylphenyl)sulfinylmorpholine

4-(4-methylsulfanylphenyl)sulfinylmorpholine (PubChem CID 132571734) has the molecular formula C11H15NO2S2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-(4-methylsulfanylphenyl)sulfinylmorpholine.

Molecular Properties

Compound Name4-(4-methylsulfanylphenyl)sulfinylmorpholine
PubChem CID132571734
Molecular FormulaC11H15NO2S2
Molecular Weight257.38 g/mol
Exact Mass257.05
IUPAC Name4-(4-methylsulfanylphenyl)sulfinylmorpholine
SMILESCSc1ccc(S(=O)N2CCOCC2)cc1
InChIInChI=1S/C11H15NO2S2/c1-15-10-2-4-11(5-3-10)16(13)12-6-8-14-9-7-12/h2-5H,6-9H2,1H3
InChIKeyPXCOPEMSEFBKDS-UHFFFAOYSA-N
XLogP1.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-morpholin-4-ylsulfinylaniline
CID 82473587
4-(4-methylsulfanylphenyl)sulfinyl-8-(4-methylsulfinylphenyl)sulfinyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 143985189
4-[(S)-(4-nitrophenyl)sulfinyl]morpholine
CID 11859168
4-(4-methylsulfanylphenyl)sulfonylmorpholine
CID 967774
4-[4-[(3-methoxy-3-methylazetidin-1-yl)methyl]phenyl]sulfinylmorpholine
CID 163258019
2-[2,5,5-trimethyl-3-(4-morpholin-4-ylsulfinylphenyl)sulfanyl-6,7-dihydro-4H-indol-1-yl]acetaldehyde
CID 143971575
(E)-3-fluoro-4-(4-morpholin-4-ylsulfinylphenoxy)but-2-en-1-amine
CID 137468637
1-methylsulfanyl-4-(4-methylsulfinylphenyl)benzene
CID 85239919
ethane;1-(4-methylphenyl)sulfinylpiperidine
CID 178050291
1-(4-methylphenyl)sulfinylpiperidin-4-one
CID 143482255
2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one
CID 15702405
2-methyl-3-(4-methylsulfanylphenyl)-2-morpholin-4-yl-3-oxopropanal
CID 18671064

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfanylphenyl)sulfinylmorpholine?
The IUPAC name of 4-(4-methylsulfanylphenyl)sulfinylmorpholine (CID 132571734) is 4-(4-methylsulfanylphenyl)sulfinylmorpholine.
What is the SMILES notation for 4-(4-methylsulfanylphenyl)sulfinylmorpholine?
The canonical SMILES for 4-(4-methylsulfanylphenyl)sulfinylmorpholine is CSc1ccc(S(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-(4-methylsulfanylphenyl)sulfinylmorpholine?
The InChIKey is PXCOPEMSEFBKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S2/c1-15-10-2-4-11(5-3-10)16(13)12-6-8-14-9-7-12/h2-5H,6-9H2,1H3.
What are the key properties of 4-(4-methylsulfanylphenyl)sulfinylmorpholine?
4-(4-methylsulfanylphenyl)sulfinylmorpholine has a molecular weight of 257.38 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfanylphenyl)sulfinylmorpholine is sourced from PubChem (CID 132571734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).