[(2S,5R)-2,5-dimethylmorpholin-4-yl]-(4-methylsulfonylphenyl)methanone

C14H19NO4S — CID 94050959

IUPAC[(2S,5R)-2,5-dimethylmorpholin-4-yl]-(4-methylsulfonylphenyl)methanone
SMILESC[C@@H]1CO[C@@H](C)CN1C(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H19NO4S/c1-10-9-19-11(2)8-15(10)14(16)12-4-6-13(7-5-12)20(3,17)18/h4-7,10-11H,8-9H2,1-3H3/t10-,11+/m1/s1
InChIKeyOISCQCMESBJIJD-MNOVXSKESA-N
MW297.38 g/mol
LogP1.34
Rot. Bonds2

About [(2S,5R)-2,5-dimethylmorpholin-4-yl]-(4-methylsulfonylphenyl)methanone

[(2S,5R)-2,5-dimethylmorpholin-4-yl]-(4-methylsulfonylphenyl)methanone (PubChem CID 94050959) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is [(2S,5R)-2,5-dimethylmorpholin-4-yl]-(4-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[(2S,5R)-2,5-dimethylmorpholin-4-yl]-(4-methylsulfonylphenyl)methanone
PubChem CID94050959
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name[(2S,5R)-2,5-dimethylmorpholin-4-yl]-(4-methylsulfonylphenyl)methanone
SMILESC[C@@H]1CO[C@@H](C)CN1C(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H19NO4S/c1-10-9-19-11(2)8-15(10)14(16)12-4-6-13(7-5-12)20(3,17)18/h4-7,10-11H,8-9H2,1-3H3/t10-,11+/m1/s1
InChIKeyOISCQCMESBJIJD-MNOVXSKESA-N
XLogP1.34
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-4-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 103734967
N-[2-chloro-5-[(2S,5R)-2,5-dimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide
CID 94881292
[(2R,5R)-2,5-dimethylmorpholin-4-yl]-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
CID 94021130
3-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide
CID 94051447
5-(2,5-dimethylmorpholine-4-carbonyl)pyridine-2-carboxylic acid
CID 43420937
4-(2,5-dimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 43421867
(2,5-dimethylmorpholin-4-yl)-(3-iodophenyl)methanone
CID 47163087
(2,5-dimethylmorpholin-4-yl)-pyridin-3-ylmethanone
CID 110727642
(3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43420926
[(2R,5R)-2,5-dimethylmorpholin-4-yl]-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone
CID 94051513
[(2S,5S)-2,5-dimethylmorpholin-4-yl]-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone
CID 94051516
3H-benzimidazol-5-yl-(2,5-dimethylmorpholin-4-yl)methanone
CID 43420928

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-2,5-dimethylmorpholin-4-yl]-(4-methylsulfonylphenyl)methanone?
The IUPAC name of [(2S,5R)-2,5-dimethylmorpholin-4-yl]-(4-methylsulfonylphenyl)methanone (CID 94050959) is [(2S,5R)-2,5-dimethylmorpholin-4-yl]-(4-methylsulfonylphenyl)methanone.
What is the SMILES notation for [(2S,5R)-2,5-dimethylmorpholin-4-yl]-(4-methylsulfonylphenyl)methanone?
The canonical SMILES for [(2S,5R)-2,5-dimethylmorpholin-4-yl]-(4-methylsulfonylphenyl)methanone is C[C@@H]1CO[C@@H](C)CN1C(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of [(2S,5R)-2,5-dimethylmorpholin-4-yl]-(4-methylsulfonylphenyl)methanone?
The InChIKey is OISCQCMESBJIJD-MNOVXSKESA-N. The full InChI is InChI=1S/C14H19NO4S/c1-10-9-19-11(2)8-15(10)14(16)12-4-6-13(7-5-12)20(3,17)18/h4-7,10-11H,8-9H2,1-3H3/t10-,11+/m1/s1.
What are the key properties of [(2S,5R)-2,5-dimethylmorpholin-4-yl]-(4-methylsulfonylphenyl)methanone?
[(2S,5R)-2,5-dimethylmorpholin-4-yl]-(4-methylsulfonylphenyl)methanone has a molecular weight of 297.38 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-2,5-dimethylmorpholin-4-yl]-(4-methylsulfonylphenyl)methanone is sourced from PubChem (CID 94050959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).