2-(2,2-dimethylpropyl)-4-methylsulfonylmorpholine

C10H21NO3S — CID 20792993

IUPAC2-(2,2-dimethylpropyl)-4-methylsulfonylmorpholine
SMILESCC(C)(C)CC1CN(S(C)(=O)=O)CCO1
InChIInChI=1S/C10H21NO3S/c1-10(2,3)7-9-8-11(5-6-14-9)15(4,12)13/h9H,5-8H2,1-4H3
InChIKeyDSYLXBXLYYJMNO-UHFFFAOYSA-N
MW235.35 g/mol
LogP1.08
Rot. Bonds2

About 2-(2,2-dimethylpropyl)-4-methylsulfonylmorpholine

2-(2,2-dimethylpropyl)-4-methylsulfonylmorpholine (PubChem CID 20792993) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-4-methylsulfonylmorpholine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-4-methylsulfonylmorpholine
PubChem CID20792993
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name2-(2,2-dimethylpropyl)-4-methylsulfonylmorpholine
SMILESCC(C)(C)CC1CN(S(C)(=O)=O)CCO1
InChIInChI=1S/C10H21NO3S/c1-10(2,3)7-9-8-11(5-6-14-9)15(4,12)13/h9H,5-8H2,1-4H3
InChIKeyDSYLXBXLYYJMNO-UHFFFAOYSA-N
XLogP1.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-4-methylsulfonylmorpholine?
The IUPAC name of 2-(2,2-dimethylpropyl)-4-methylsulfonylmorpholine (CID 20792993) is 2-(2,2-dimethylpropyl)-4-methylsulfonylmorpholine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-4-methylsulfonylmorpholine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-4-methylsulfonylmorpholine is CC(C)(C)CC1CN(S(C)(=O)=O)CCO1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-4-methylsulfonylmorpholine?
The InChIKey is DSYLXBXLYYJMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-10(2,3)7-9-8-11(5-6-14-9)15(4,12)13/h9H,5-8H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-4-methylsulfonylmorpholine?
2-(2,2-dimethylpropyl)-4-methylsulfonylmorpholine has a molecular weight of 235.35 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-4-methylsulfonylmorpholine is sourced from PubChem (CID 20792993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).