(2S,5S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,5-dimethylmorpholine

C11H18N2O4S — CID 35406723

IUPAC(2S,5S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,5-dimethylmorpholine
SMILESCc1noc(C)c1S(=O)(=O)N1C[C@H](C)OC[C@@H]1C
InChIInChI=1S/C11H18N2O4S/c1-7-6-16-8(2)5-13(7)18(14,15)11-9(3)12-17-10(11)4/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKeyXCSMDYDJJZERLT-YUMQZZPRSA-N
MW274.34 g/mol
LogP1.09
Rot. Bonds2

About (2S,5S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,5-dimethylmorpholine

(2S,5S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,5-dimethylmorpholine (PubChem CID 35406723) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is (2S,5S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,5-dimethylmorpholine.

Molecular Properties

Compound Name(2S,5S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,5-dimethylmorpholine
PubChem CID35406723
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name(2S,5S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,5-dimethylmorpholine
SMILESCc1noc(C)c1S(=O)(=O)N1C[C@H](C)OC[C@@H]1C
InChIInChI=1S/C11H18N2O4S/c1-7-6-16-8(2)5-13(7)18(14,15)11-9(3)12-17-10(11)4/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKeyXCSMDYDJJZERLT-YUMQZZPRSA-N
XLogP1.09
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,5-dimethylmorpholine
CID 43544982
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-methylpiperidine-3-carboxamide
CID 47319650
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120582142
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-amine
CID 65245066
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 42928364
(2S,5R)-2,5-dimethylmorpholine-4-sulfonyl chloride
CID 94843085
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102786141
(2R,5R)-2,5-dimethyl-4-(2-methyl-6-nitrophenyl)sulfonylmorpholine
CID 98720380
(4aS,8aR)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
CID 129491399
(4aS,8aS)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
CID 129491400
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-2,3-dihydro-1,4-benzoxazine
CID 3673325
(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 7130999

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,5-dimethylmorpholine?
The IUPAC name of (2S,5S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,5-dimethylmorpholine (CID 35406723) is (2S,5S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,5-dimethylmorpholine.
What is the SMILES notation for (2S,5S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,5-dimethylmorpholine?
The canonical SMILES for (2S,5S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,5-dimethylmorpholine is Cc1noc(C)c1S(=O)(=O)N1C[C@H](C)OC[C@@H]1C.
What is the InChIKey of (2S,5S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,5-dimethylmorpholine?
The InChIKey is XCSMDYDJJZERLT-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-7-6-16-8(2)5-13(7)18(14,15)11-9(3)12-17-10(11)4/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1.
What are the key properties of (2S,5S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,5-dimethylmorpholine?
(2S,5S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,5-dimethylmorpholine has a molecular weight of 274.34 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,5-dimethylmorpholine is sourced from PubChem (CID 35406723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).