4-(3-methylsulfonylphenyl)sulfonylthiomorpholine

C11H15NO4S3 — CID 1217083

IUPAC4-(3-methylsulfonylphenyl)sulfonylthiomorpholine
SMILESCS(=O)(=O)c1cccc(S(=O)(=O)N2CCSCC2)c1
InChIInChI=1S/C11H15NO4S3/c1-18(13,14)10-3-2-4-11(9-10)19(15,16)12-5-7-17-8-6-12/h2-4,9H,5-8H2,1H3
InChIKeyHPFLYEGLFQYBRB-UHFFFAOYSA-N
MW321.44 g/mol
LogP0.83
Rot. Bonds3

About 4-(3-methylsulfonylphenyl)sulfonylthiomorpholine

4-(3-methylsulfonylphenyl)sulfonylthiomorpholine (PubChem CID 1217083) has the molecular formula C11H15NO4S3 and a molecular weight of 321.44 g/mol. Its IUPAC name is 4-(3-methylsulfonylphenyl)sulfonylthiomorpholine.

Molecular Properties

Compound Name4-(3-methylsulfonylphenyl)sulfonylthiomorpholine
PubChem CID1217083
Molecular FormulaC11H15NO4S3
Molecular Weight321.44 g/mol
Exact Mass321.02
IUPAC Name4-(3-methylsulfonylphenyl)sulfonylthiomorpholine
SMILESCS(=O)(=O)c1cccc(S(=O)(=O)N2CCSCC2)c1
InChIInChI=1S/C11H15NO4S3/c1-18(13,14)10-3-2-4-11(9-10)19(15,16)12-5-7-17-8-6-12/h2-4,9H,5-8H2,1H3
InChIKeyHPFLYEGLFQYBRB-UHFFFAOYSA-N
XLogP0.83
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylsulfonylphenyl)sulfonylthiomorpholine?
The IUPAC name of 4-(3-methylsulfonylphenyl)sulfonylthiomorpholine (CID 1217083) is 4-(3-methylsulfonylphenyl)sulfonylthiomorpholine.
What is the SMILES notation for 4-(3-methylsulfonylphenyl)sulfonylthiomorpholine?
The canonical SMILES for 4-(3-methylsulfonylphenyl)sulfonylthiomorpholine is CS(=O)(=O)c1cccc(S(=O)(=O)N2CCSCC2)c1.
What is the InChIKey of 4-(3-methylsulfonylphenyl)sulfonylthiomorpholine?
The InChIKey is HPFLYEGLFQYBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S3/c1-18(13,14)10-3-2-4-11(9-10)19(15,16)12-5-7-17-8-6-12/h2-4,9H,5-8H2,1H3.
What are the key properties of 4-(3-methylsulfonylphenyl)sulfonylthiomorpholine?
4-(3-methylsulfonylphenyl)sulfonylthiomorpholine has a molecular weight of 321.44 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylsulfonylphenyl)sulfonylthiomorpholine is sourced from PubChem (CID 1217083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).