4-(4-methylsulfanylphenyl)sulfonylmorpholine

C11H15NO3S2 — CID 967774

IUPAC4-(4-methylsulfanylphenyl)sulfonylmorpholine
SMILESCSc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C11H15NO3S2/c1-16-10-2-4-11(5-3-10)17(13,14)12-6-8-15-9-7-12/h2-5H,6-9H2,1H3
InChIKeyJVFIUDWLYWPTNW-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.43
Rot. Bonds3

About 4-(4-methylsulfanylphenyl)sulfonylmorpholine

4-(4-methylsulfanylphenyl)sulfonylmorpholine (PubChem CID 967774) has the molecular formula C11H15NO3S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-(4-methylsulfanylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(4-methylsulfanylphenyl)sulfonylmorpholine
PubChem CID967774
Molecular FormulaC11H15NO3S2
Molecular Weight273.38 g/mol
Exact Mass273.05
IUPAC Name4-(4-methylsulfanylphenyl)sulfonylmorpholine
SMILESCSc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C11H15NO3S2/c1-16-10-2-4-11(5-3-10)17(13,14)12-6-8-15-9-7-12/h2-5H,6-9H2,1H3
InChIKeyJVFIUDWLYWPTNW-UHFFFAOYSA-N
XLogP1.43
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 28557563
4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-oxadiazecane
CID 13148160
1-methyl-N-(4-methylsulfanylphenyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17407087
4-(4-ethenylphenyl)sulfonylmorpholine
CID 175115555
N,N-diethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 631492
morpholin-4-yl-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 24603019
1-benzhydryl-4-(4-methylsulfanylphenyl)sulfonylpiperazin-1-ium
CID 2225845
N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 53285254
4-(4-methylphenyl)sulfonyl-1,4,7-oxadiazonane
CID 11098087
4,12-bis-(4-methylphenyl)sulfonyl-1-oxa-4,8,12-triazacyclotetradecane
CID 10839404

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfanylphenyl)sulfonylmorpholine?
The IUPAC name of 4-(4-methylsulfanylphenyl)sulfonylmorpholine (CID 967774) is 4-(4-methylsulfanylphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(4-methylsulfanylphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(4-methylsulfanylphenyl)sulfonylmorpholine is CSc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-(4-methylsulfanylphenyl)sulfonylmorpholine?
The InChIKey is JVFIUDWLYWPTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S2/c1-16-10-2-4-11(5-3-10)17(13,14)12-6-8-15-9-7-12/h2-5H,6-9H2,1H3.
What are the key properties of 4-(4-methylsulfanylphenyl)sulfonylmorpholine?
4-(4-methylsulfanylphenyl)sulfonylmorpholine has a molecular weight of 273.38 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfanylphenyl)sulfonylmorpholine is sourced from PubChem (CID 967774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).