[(3S)-morpholin-3-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone

C12H22N2O3 — CID 124513213

IUPAC[(3S)-morpholin-3-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)[C@@H]2COCCN2)CC(C)(C)O1
InChIInChI=1S/C12H22N2O3/c1-9-6-14(8-12(2,3)17-9)11(15)10-7-16-5-4-13-10/h9-10,13H,4-8H2,1-3H3/t9-,10+/m1/s1
InChIKeyRRKKBCLUKIWCLK-ZJUUUORDSA-N
MW242.32 g/mol
LogP0.00
Rot. Bonds1

About [(3S)-morpholin-3-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone

[(3S)-morpholin-3-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone (PubChem CID 124513213) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is [(3S)-morpholin-3-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[(3S)-morpholin-3-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone
PubChem CID124513213
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name[(3S)-morpholin-3-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)[C@@H]2COCCN2)CC(C)(C)O1
InChIInChI=1S/C12H22N2O3/c1-9-6-14(8-12(2,3)17-9)11(15)10-7-16-5-4-13-10/h9-10,13H,4-8H2,1-3H3/t9-,10+/m1/s1
InChIKeyRRKKBCLUKIWCLK-ZJUUUORDSA-N
XLogP0.00
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-morpholin-3-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone with MolForge

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Related Compounds

(2,2-dimethylmorpholin-4-yl)-morpholin-3-ylmethanone;hydrochloride
CID 119732358
(5-methylpiperazin-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 55176687
morpholin-3-yl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66370424
[(3R)-morpholin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 130992240
(2,2-dimethylazetidin-1-yl)-[(3R)-morpholin-3-yl]methanone
CID 130747772
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-morpholin-3-yl]methanone;hydrochloride
CID 130608601
3-azabicyclo[3.3.1]nonan-3-yl(morpholin-3-yl)methanone
CID 114196397
(3-ethylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 115740814
(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 119899567
1-(2,2,6-trimethylmorpholin-4-yl)but-2-en-1-one
CID 78976791
[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride
CID 119730727
morpholin-3-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103812428

Frequently Asked Questions

What is the IUPAC name of [(3S)-morpholin-3-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone?
The IUPAC name of [(3S)-morpholin-3-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone (CID 124513213) is [(3S)-morpholin-3-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [(3S)-morpholin-3-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone?
The canonical SMILES for [(3S)-morpholin-3-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)[C@@H]2COCCN2)CC(C)(C)O1.
What is the InChIKey of [(3S)-morpholin-3-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone?
The InChIKey is RRKKBCLUKIWCLK-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9-6-14(8-12(2,3)17-9)11(15)10-7-16-5-4-13-10/h9-10,13H,4-8H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of [(3S)-morpholin-3-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone?
[(3S)-morpholin-3-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone has a molecular weight of 242.32 g/mol, XLogP of 0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-morpholin-3-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 124513213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).