2-amino-1-(3-ethylmorpholin-4-yl)-4-methylsulfonylbutan-1-one

C11H22N2O4S — CID 43613242

IUPAC2-amino-1-(3-ethylmorpholin-4-yl)-4-methylsulfonylbutan-1-one
SMILESCCC1COCCN1C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C11H22N2O4S/c1-3-9-8-17-6-5-13(9)11(14)10(12)4-7-18(2,15)16/h9-10H,3-8,12H2,1-2H3
InChIKeyMFSWWZHGHHZHII-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.61
Rot. Bonds5

About 2-amino-1-(3-ethylmorpholin-4-yl)-4-methylsulfonylbutan-1-one

2-amino-1-(3-ethylmorpholin-4-yl)-4-methylsulfonylbutan-1-one (PubChem CID 43613242) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-amino-1-(3-ethylmorpholin-4-yl)-4-methylsulfonylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-ethylmorpholin-4-yl)-4-methylsulfonylbutan-1-one
PubChem CID43613242
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name2-amino-1-(3-ethylmorpholin-4-yl)-4-methylsulfonylbutan-1-one
SMILESCCC1COCCN1C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C11H22N2O4S/c1-3-9-8-17-6-5-13(9)11(14)10(12)4-7-18(2,15)16/h9-10H,3-8,12H2,1-2H3
InChIKeyMFSWWZHGHHZHII-UHFFFAOYSA-N
XLogP-0.61
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-ethylmorpholin-4-yl)-4-methylsulfonylbutan-1-one?
The IUPAC name of 2-amino-1-(3-ethylmorpholin-4-yl)-4-methylsulfonylbutan-1-one (CID 43613242) is 2-amino-1-(3-ethylmorpholin-4-yl)-4-methylsulfonylbutan-1-one.
What is the SMILES notation for 2-amino-1-(3-ethylmorpholin-4-yl)-4-methylsulfonylbutan-1-one?
The canonical SMILES for 2-amino-1-(3-ethylmorpholin-4-yl)-4-methylsulfonylbutan-1-one is CCC1COCCN1C(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-1-(3-ethylmorpholin-4-yl)-4-methylsulfonylbutan-1-one?
The InChIKey is MFSWWZHGHHZHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-3-9-8-17-6-5-13(9)11(14)10(12)4-7-18(2,15)16/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 2-amino-1-(3-ethylmorpholin-4-yl)-4-methylsulfonylbutan-1-one?
2-amino-1-(3-ethylmorpholin-4-yl)-4-methylsulfonylbutan-1-one has a molecular weight of 278.37 g/mol, XLogP of -0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-ethylmorpholin-4-yl)-4-methylsulfonylbutan-1-one is sourced from PubChem (CID 43613242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).