2-amino-1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfonylbutan-1-one

C11H22N2O4S — CID 24711694

IUPAC2-amino-1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfonylbutan-1-one
SMILESCC1CN(C(=O)C(N)CCS(C)(=O)=O)CC(C)O1
InChIInChI=1S/C11H22N2O4S/c1-8-6-13(7-9(2)17-8)11(14)10(12)4-5-18(3,15)16/h8-10H,4-7,12H2,1-3H3
InChIKeyCCZCFGOKNMYXIK-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.62
Rot. Bonds4

About 2-amino-1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfonylbutan-1-one

2-amino-1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfonylbutan-1-one (PubChem CID 24711694) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-amino-1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfonylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfonylbutan-1-one
PubChem CID24711694
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name2-amino-1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfonylbutan-1-one
SMILESCC1CN(C(=O)C(N)CCS(C)(=O)=O)CC(C)O1
InChIInChI=1S/C11H22N2O4S/c1-8-6-13(7-9(2)17-8)11(14)10(12)4-5-18(3,15)16/h8-10H,4-7,12H2,1-3H3
InChIKeyCCZCFGOKNMYXIK-UHFFFAOYSA-N
XLogP-0.62
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfonylbutan-1-one?
The IUPAC name of 2-amino-1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfonylbutan-1-one (CID 24711694) is 2-amino-1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfonylbutan-1-one.
What is the SMILES notation for 2-amino-1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfonylbutan-1-one?
The canonical SMILES for 2-amino-1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfonylbutan-1-one is CC1CN(C(=O)C(N)CCS(C)(=O)=O)CC(C)O1.
What is the InChIKey of 2-amino-1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfonylbutan-1-one?
The InChIKey is CCZCFGOKNMYXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-8-6-13(7-9(2)17-8)11(14)10(12)4-5-18(3,15)16/h8-10H,4-7,12H2,1-3H3.
What are the key properties of 2-amino-1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfonylbutan-1-one?
2-amino-1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfonylbutan-1-one has a molecular weight of 278.37 g/mol, XLogP of -0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfonylbutan-1-one is sourced from PubChem (CID 24711694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).