2,6-dimethyl-4-methylsulfonylthiomorpholine

C7H15NO2S2 — CID 59881997

IUPAC2,6-dimethyl-4-methylsulfonylthiomorpholine
SMILESCC1CN(S(C)(=O)=O)CC(C)S1
InChIInChI=1S/C7H15NO2S2/c1-6-4-8(12(3,9)10)5-7(2)11-6/h6-7H,4-5H2,1-3H3
InChIKeySEZOQZULBYGNQJ-UHFFFAOYSA-N
MW209.34 g/mol
LogP0.77
Rot. Bonds1

About 2,6-dimethyl-4-methylsulfonylthiomorpholine

2,6-dimethyl-4-methylsulfonylthiomorpholine (PubChem CID 59881997) has the molecular formula C7H15NO2S2 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2,6-dimethyl-4-methylsulfonylthiomorpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-methylsulfonylthiomorpholine
PubChem CID59881997
Molecular FormulaC7H15NO2S2
Molecular Weight209.34 g/mol
Exact Mass209.05
IUPAC Name2,6-dimethyl-4-methylsulfonylthiomorpholine
SMILESCC1CN(S(C)(=O)=O)CC(C)S1
InChIInChI=1S/C7H15NO2S2/c1-6-4-8(12(3,9)10)5-7(2)11-6/h6-7H,4-5H2,1-3H3
InChIKeySEZOQZULBYGNQJ-UHFFFAOYSA-N
XLogP0.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-methylsulfonylthiomorpholine?
The IUPAC name of 2,6-dimethyl-4-methylsulfonylthiomorpholine (CID 59881997) is 2,6-dimethyl-4-methylsulfonylthiomorpholine.
What is the SMILES notation for 2,6-dimethyl-4-methylsulfonylthiomorpholine?
The canonical SMILES for 2,6-dimethyl-4-methylsulfonylthiomorpholine is CC1CN(S(C)(=O)=O)CC(C)S1.
What is the InChIKey of 2,6-dimethyl-4-methylsulfonylthiomorpholine?
The InChIKey is SEZOQZULBYGNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S2/c1-6-4-8(12(3,9)10)5-7(2)11-6/h6-7H,4-5H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-methylsulfonylthiomorpholine?
2,6-dimethyl-4-methylsulfonylthiomorpholine has a molecular weight of 209.34 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-methylsulfonylthiomorpholine is sourced from PubChem (CID 59881997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).