methyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]butanoate

C12H24N2O5S — CID 51075470

IUPACmethyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]butanoate
SMILESCOC(=O)CCCN(C)S(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C12H24N2O5S/c1-10-8-14(9-11(2)19-10)20(16,17)13(3)7-5-6-12(15)18-4/h10-11H,5-9H2,1-4H3
InChIKeyWUYYZFJVQRQFKG-UHFFFAOYSA-N
MW308.40 g/mol
LogP0.23
Rot. Bonds6

About methyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]butanoate

methyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]butanoate (PubChem CID 51075470) has the molecular formula C12H24N2O5S and a molecular weight of 308.40 g/mol. Its IUPAC name is methyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]butanoate
PubChem CID51075470
Molecular FormulaC12H24N2O5S
Molecular Weight308.40 g/mol
Exact Mass308.14
IUPAC Namemethyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]butanoate
SMILESCOC(=O)CCCN(C)S(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C12H24N2O5S/c1-10-8-14(9-11(2)19-10)20(16,17)13(3)7-5-6-12(15)18-4/h10-11H,5-9H2,1-4H3
InChIKeyWUYYZFJVQRQFKG-UHFFFAOYSA-N
XLogP0.23
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-methylamino]butanoate
CID 94400725
methyl 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoate
CID 54942769
methyl 4-[methyl(morpholin-4-ylsulfonyl)amino]butanoate
CID 54940579
N-(2-aminoethyl)-N,2,6-trimethylmorpholine-4-sulfonamide
CID 62688438
2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-methylamino]acetamide
CID 94061320
N-(2-hydroxy-2-methylpropyl)-N,2,6-trimethylmorpholine-4-sulfonamide
CID 79386593
(2S,6R)-N,N,2,6-tetramethylmorpholine-4-sulfonamide
CID 884474
N,2,6-trimethyl-N-(2-phenoxyethyl)morpholine-4-sulfonamide
CID 51330696
methyl 4-[methyl(trifluoromethylsulfonyl)amino]butanoate
CID 55208594
methyl 3-[(3-cyclopropyl-3-hydroxyazetidin-1-yl)sulfonyl-methylamino]propanoate
CID 102685193
methyl 4-[azetidin-3-yl(methyl)sulfamoyl]butanoate
CID 66185019
methyl 4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoate
CID 60732398

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]butanoate?
The IUPAC name of methyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]butanoate (CID 51075470) is methyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]butanoate.
What is the SMILES notation for methyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]butanoate?
The canonical SMILES for methyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]butanoate is COC(=O)CCCN(C)S(=O)(=O)N1CC(C)OC(C)C1.
What is the InChIKey of methyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]butanoate?
The InChIKey is WUYYZFJVQRQFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5S/c1-10-8-14(9-11(2)19-10)20(16,17)13(3)7-5-6-12(15)18-4/h10-11H,5-9H2,1-4H3.
What are the key properties of methyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]butanoate?
methyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]butanoate has a molecular weight of 308.40 g/mol, XLogP of 0.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]butanoate is sourced from PubChem (CID 51075470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).