(2,6-dimethylmorpholin-4-yl)-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone

C17H27N3O5S — CID 55451559

IUPAC(2,6-dimethylmorpholin-4-yl)-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)N2CC(C)OC(C)C2)C1
InChIInChI=1S/C17H27N3O5S/c1-11-8-19(9-12(2)24-11)17(21)15-6-5-7-20(10-15)26(22,23)16-13(3)18-25-14(16)4/h11-12,15H,5-10H2,1-4H3
InChIKeyXQVVHFUBLANRDG-UHFFFAOYSA-N
MW385.49 g/mol
LogP1.33
Rot. Bonds3

About (2,6-dimethylmorpholin-4-yl)-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone

(2,6-dimethylmorpholin-4-yl)-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone (PubChem CID 55451559) has the molecular formula C17H27N3O5S and a molecular weight of 385.49 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone
PubChem CID55451559
Molecular FormulaC17H27N3O5S
Molecular Weight385.49 g/mol
Exact Mass385.17
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)N2CC(C)OC(C)C2)C1
InChIInChI=1S/C17H27N3O5S/c1-11-8-19(9-12(2)24-11)17(21)15-6-5-7-20(10-15)26(22,23)16-13(3)18-25-14(16)4/h11-12,15H,5-10H2,1-4H3
InChIKeyXQVVHFUBLANRDG-UHFFFAOYSA-N
XLogP1.33
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,6-dimethylmorpholin-4-yl)-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone with MolForge

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Related Compounds

[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 51264936
cyclopentyl-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]methanone
CID 55566653
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-piperazin-1-ylmethanone
CID 119402643
[4-(dimethylamino)piperidin-1-yl]-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone
CID 55685462
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119491783
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 7030539
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 3756181
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 20855591
ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 2812656
(3R)-N-cycloheptyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 40502064
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 42928364
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 40640936

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone (CID 55451559) is (2,6-dimethylmorpholin-4-yl)-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone is Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)N2CC(C)OC(C)C2)C1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone?
The InChIKey is XQVVHFUBLANRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5S/c1-11-8-19(9-12(2)24-11)17(21)15-6-5-7-20(10-15)26(22,23)16-13(3)18-25-14(16)4/h11-12,15H,5-10H2,1-4H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone?
(2,6-dimethylmorpholin-4-yl)-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone has a molecular weight of 385.49 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone is sourced from PubChem (CID 55451559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).