(2S,6R)-2,6-dimethyl-4-methylsulfonylmorpholine

C7H15NO3S — CID 669160

IUPAC(2S,6R)-2,6-dimethyl-4-methylsulfonylmorpholine
SMILESC[C@@H]1CN(S(C)(=O)=O)C[C@H](C)O1
InChIInChI=1S/C7H15NO3S/c1-6-4-8(12(3,9)10)5-7(2)11-6/h6-7H,4-5H2,1-3H3/t6-,7+
InChIKeyYLQFPGWOKBQQJS-KNVOCYPGSA-N
MW193.27 g/mol
LogP0.06
Rot. Bonds1

About (2S,6R)-2,6-dimethyl-4-methylsulfonylmorpholine

(2S,6R)-2,6-dimethyl-4-methylsulfonylmorpholine (PubChem CID 669160) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-methylsulfonylmorpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-methylsulfonylmorpholine
PubChem CID669160
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name(2S,6R)-2,6-dimethyl-4-methylsulfonylmorpholine
SMILESC[C@@H]1CN(S(C)(=O)=O)C[C@H](C)O1
InChIInChI=1S/C7H15NO3S/c1-6-4-8(12(3,9)10)5-7(2)11-6/h6-7H,4-5H2,1-3H3/t6-,7+
InChIKeyYLQFPGWOKBQQJS-KNVOCYPGSA-N
XLogP0.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-methylsulfonylmorpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-methylsulfonylmorpholine (CID 669160) is (2S,6R)-2,6-dimethyl-4-methylsulfonylmorpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-methylsulfonylmorpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-methylsulfonylmorpholine is C[C@@H]1CN(S(C)(=O)=O)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-methylsulfonylmorpholine?
The InChIKey is YLQFPGWOKBQQJS-KNVOCYPGSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-6-4-8(12(3,9)10)5-7(2)11-6/h6-7H,4-5H2,1-3H3/t6-,7+.
What are the key properties of (2S,6R)-2,6-dimethyl-4-methylsulfonylmorpholine?
(2S,6R)-2,6-dimethyl-4-methylsulfonylmorpholine has a molecular weight of 193.27 g/mol, XLogP of 0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-methylsulfonylmorpholine is sourced from PubChem (CID 669160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).