(2R)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one

C11H22N2O2S — CID 104906985

IUPAC(2R)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one
SMILESCSCC[C@@H](N)C(=O)N1CC(C)OCC1C
InChIInChI=1S/C11H22N2O2S/c1-8-7-15-9(2)6-13(8)11(14)10(12)4-5-16-3/h8-10H,4-7,12H2,1-3H3/t8?,9?,10-/m1/s1
InChIKeyYSNISQUTKSGJED-UDNWOFFPSA-N
MW246.38 g/mol
LogP0.70
Rot. Bonds4

About (2R)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one

(2R)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one (PubChem CID 104906985) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is (2R)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one
PubChem CID104906985
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name(2R)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one
SMILESCSCC[C@@H](N)C(=O)N1CC(C)OCC1C
InChIInChI=1S/C11H22N2O2S/c1-8-7-15-9(2)6-13(8)11(14)10(12)4-5-16-3/h8-10H,4-7,12H2,1-3H3/t8?,9?,10-/m1/s1
InChIKeyYSNISQUTKSGJED-UDNWOFFPSA-N
XLogP0.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-methylsulfanylbutan-1-one
CID 81203478
1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-methylsulfanylethanone
CID 94053963
1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-methylsulfanylethanone
CID 94053964
(2R)-2-amino-1-(2,4-dimethyl-1,4-diazepan-1-yl)-4-methylsulfanylbutan-1-one
CID 114085704
(2S)-2-amino-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methylsulfanylbutan-1-one
CID 91636201
(2R)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-3,3-dimethylbutan-1-one
CID 103928484
(2S)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylpentan-1-one
CID 61172286
(2R)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 104904754
1-(2,5-dimethylmorpholin-4-yl)-2-sulfanylpropan-1-one
CID 107022948
1-(2,5-dimethylmorpholin-4-yl)-2,2-difluoroethanone
CID 103515326
(2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxamide
CID 54233677
(2R)-2-amino-1-(2,3-dimethylpiperidin-1-yl)-4-methylsulfanylbutan-1-one
CID 104908334

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one?
The IUPAC name of (2R)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one (CID 104906985) is (2R)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one?
The canonical SMILES for (2R)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one is CSCC[C@@H](N)C(=O)N1CC(C)OCC1C.
What is the InChIKey of (2R)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one?
The InChIKey is YSNISQUTKSGJED-UDNWOFFPSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-8-7-15-9(2)6-13(8)11(14)10(12)4-5-16-3/h8-10H,4-7,12H2,1-3H3/t8?,9?,10-/m1/s1.
What are the key properties of (2R)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one?
(2R)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one has a molecular weight of 246.38 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one is sourced from PubChem (CID 104906985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).