4-[(2S)-2-(methanesulfonamido)propyl]-6,6-dimethylmorpholine-3-carboxylic acid

C11H22N2O5S — CID 68523816

IUPAC4-[(2S)-2-(methanesulfonamido)propyl]-6,6-dimethylmorpholine-3-carboxylic acid
SMILESC[C@@H](CN1CC(C)(C)OCC1C(=O)O)NS(C)(=O)=O
InChIInChI=1S/C11H22N2O5S/c1-8(12-19(4,16)17)5-13-7-11(2,3)18-6-9(13)10(14)15/h8-9,12H,5-7H2,1-4H3,(H,14,15)/t8-,9?/m0/s1
InChIKeyZHYIEEGPDXVQJJ-IENPIDJESA-N
MW294.37 g/mol
LogP-0.51
Rot. Bonds5

About 4-[(2S)-2-(methanesulfonamido)propyl]-6,6-dimethylmorpholine-3-carboxylic acid

4-[(2S)-2-(methanesulfonamido)propyl]-6,6-dimethylmorpholine-3-carboxylic acid (PubChem CID 68523816) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is 4-[(2S)-2-(methanesulfonamido)propyl]-6,6-dimethylmorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2S)-2-(methanesulfonamido)propyl]-6,6-dimethylmorpholine-3-carboxylic acid
PubChem CID68523816
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Name4-[(2S)-2-(methanesulfonamido)propyl]-6,6-dimethylmorpholine-3-carboxylic acid
SMILESC[C@@H](CN1CC(C)(C)OCC1C(=O)O)NS(C)(=O)=O
InChIInChI=1S/C11H22N2O5S/c1-8(12-19(4,16)17)5-13-7-11(2,3)18-6-9(13)10(14)15/h8-9,12H,5-7H2,1-4H3,(H,14,15)/t8-,9?/m0/s1
InChIKeyZHYIEEGPDXVQJJ-IENPIDJESA-N
XLogP-0.51
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-amino-3-methylbutyl)-6,6-dimethylmorpholine-3-carboxylic acid
CID 68523029
6,6-dimethyl-4-[2-[(2,2,2-trifluoroacetyl)amino]propyl]morpholine-3-carboxylic acid
CID 87484415
6,6-dimethyl-4-[(2R)-3-methyl-2-(oxolane-3-carbonylamino)butyl]morpholine-3-carboxylic acid
CID 68534967
(3S)-6,6-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-3-carboxylic acid
CID 68523362
4-(2-amino-2-methylpropanoyl)-6,6-dimethylmorpholine-3-carboxylic acid
CID 68715937
methyl 6,6-dimethyl-4-propan-2-ylmorpholine-3-carboxylate
CID 118118158
(3S)-6,6-dimethyl-4-[2-oxo-2-(pyrimidin-4-ylmethylamino)ethyl]morpholine-3-carboxylic acid
CID 174514223
N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide
CID 91662016
N-[1-oxo-1-(2,2,6-trimethylmorpholin-4-yl)propan-2-yl]methanesulfonamide
CID 48692827
benzyl (3S)-4-benzyl-6,6-dimethylmorpholine-3-carboxylate
CID 59337560
1-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]piperidine-2-carboxylic acid
CID 107215422
1-(pentan-2-ylsulfamoyl)piperidine-2-carboxylic acid
CID 60859071

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(methanesulfonamido)propyl]-6,6-dimethylmorpholine-3-carboxylic acid?
The IUPAC name of 4-[(2S)-2-(methanesulfonamido)propyl]-6,6-dimethylmorpholine-3-carboxylic acid (CID 68523816) is 4-[(2S)-2-(methanesulfonamido)propyl]-6,6-dimethylmorpholine-3-carboxylic acid.
What is the SMILES notation for 4-[(2S)-2-(methanesulfonamido)propyl]-6,6-dimethylmorpholine-3-carboxylic acid?
The canonical SMILES for 4-[(2S)-2-(methanesulfonamido)propyl]-6,6-dimethylmorpholine-3-carboxylic acid is C[C@@H](CN1CC(C)(C)OCC1C(=O)O)NS(C)(=O)=O.
What is the InChIKey of 4-[(2S)-2-(methanesulfonamido)propyl]-6,6-dimethylmorpholine-3-carboxylic acid?
The InChIKey is ZHYIEEGPDXVQJJ-IENPIDJESA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-8(12-19(4,16)17)5-13-7-11(2,3)18-6-9(13)10(14)15/h8-9,12H,5-7H2,1-4H3,(H,14,15)/t8-,9?/m0/s1.
What are the key properties of 4-[(2S)-2-(methanesulfonamido)propyl]-6,6-dimethylmorpholine-3-carboxylic acid?
4-[(2S)-2-(methanesulfonamido)propyl]-6,6-dimethylmorpholine-3-carboxylic acid has a molecular weight of 294.37 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(methanesulfonamido)propyl]-6,6-dimethylmorpholine-3-carboxylic acid is sourced from PubChem (CID 68523816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).