2,2-dimethyl-4-methylsulfonylmorpholine

C7H15NO3S — CID 60762908

IUPAC2,2-dimethyl-4-methylsulfonylmorpholine
SMILESCC1(C)CN(S(C)(=O)=O)CCO1
InChIInChI=1S/C7H15NO3S/c1-7(2)6-8(4-5-11-7)12(3,9)10/h4-6H2,1-3H3
InChIKeyIXQKBGKETKWCDN-UHFFFAOYSA-N
MW193.27 g/mol
LogP0.06
Rot. Bonds1

About 2,2-dimethyl-4-methylsulfonylmorpholine

2,2-dimethyl-4-methylsulfonylmorpholine (PubChem CID 60762908) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 2,2-dimethyl-4-methylsulfonylmorpholine.

Molecular Properties

Compound Name2,2-dimethyl-4-methylsulfonylmorpholine
PubChem CID60762908
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name2,2-dimethyl-4-methylsulfonylmorpholine
SMILESCC1(C)CN(S(C)(=O)=O)CCO1
InChIInChI=1S/C7H15NO3S/c1-7(2)6-8(4-5-11-7)12(3,9)10/h4-6H2,1-3H3
InChIKeyIXQKBGKETKWCDN-UHFFFAOYSA-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 2,2-dimethyl-4-methylsulfonylmorpholine?
The IUPAC name of 2,2-dimethyl-4-methylsulfonylmorpholine (CID 60762908) is 2,2-dimethyl-4-methylsulfonylmorpholine.
What is the SMILES notation for 2,2-dimethyl-4-methylsulfonylmorpholine?
The canonical SMILES for 2,2-dimethyl-4-methylsulfonylmorpholine is CC1(C)CN(S(C)(=O)=O)CCO1.
What is the InChIKey of 2,2-dimethyl-4-methylsulfonylmorpholine?
The InChIKey is IXQKBGKETKWCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-7(2)6-8(4-5-11-7)12(3,9)10/h4-6H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-methylsulfonylmorpholine?
2,2-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 2,2-dimethyl-4-methylsulfonylmorpholine is sourced from PubChem (CID 60762908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).