4-(4-methylphenyl)sulfonylthiomorpholine

C11H15NO2S2 — CID 4068383

IUPAC4-(4-methylphenyl)sulfonylthiomorpholine
SMILESCc1ccc(S(=O)(=O)N2CCSCC2)cc1
InChIInChI=1S/C11H15NO2S2/c1-10-2-4-11(5-3-10)16(13,14)12-6-8-15-9-7-12/h2-5H,6-9H2,1H3
InChIKeyVYFSCNGFRNWCEG-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.73
Rot. Bonds2

About 4-(4-methylphenyl)sulfonylthiomorpholine

4-(4-methylphenyl)sulfonylthiomorpholine (PubChem CID 4068383) has the molecular formula C11H15NO2S2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonylthiomorpholine.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonylthiomorpholine
PubChem CID4068383
Molecular FormulaC11H15NO2S2
Molecular Weight257.38 g/mol
Exact Mass257.05
IUPAC Name4-(4-methylphenyl)sulfonylthiomorpholine
SMILESCc1ccc(S(=O)(=O)N2CCSCC2)cc1
InChIInChI=1S/C11H15NO2S2/c1-10-2-4-11(5-3-10)16(13,14)12-6-8-15-9-7-12/h2-5H,6-9H2,1H3
InChIKeyVYFSCNGFRNWCEG-UHFFFAOYSA-N
XLogP1.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6Z)-4-(4-methylphenyl)sulfonyl-2,3,5,8-tetrahydro-1,4-thiazocine
CID 139356259
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
1-(4-methylphenyl)sulfonyl-1,4,7-triazonane;1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonane
CID 172867320
4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 121187247
1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 719622
1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
2-methyl-4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-oxazole
CID 56791969
1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine
CID 889439
1-(4-methylphenyl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 22772839
4-(1,4-thiazepan-4-ylsulfonyl)aniline
CID 61418861

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfonylthiomorpholine?
The IUPAC name of 4-(4-methylphenyl)sulfonylthiomorpholine (CID 4068383) is 4-(4-methylphenyl)sulfonylthiomorpholine.
What is the SMILES notation for 4-(4-methylphenyl)sulfonylthiomorpholine?
The canonical SMILES for 4-(4-methylphenyl)sulfonylthiomorpholine is Cc1ccc(S(=O)(=O)N2CCSCC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)sulfonylthiomorpholine?
The InChIKey is VYFSCNGFRNWCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S2/c1-10-2-4-11(5-3-10)16(13,14)12-6-8-15-9-7-12/h2-5H,6-9H2,1H3.
What are the key properties of 4-(4-methylphenyl)sulfonylthiomorpholine?
4-(4-methylphenyl)sulfonylthiomorpholine has a molecular weight of 257.38 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfonylthiomorpholine is sourced from PubChem (CID 4068383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).