1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfonylethanone

C15H21NO5S — CID 7082114

IUPAC1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfonylethanone
SMILESCOc1ccc(S(=O)(=O)CC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C15H21NO5S/c1-11-8-16(9-12(2)21-11)15(17)10-22(18,19)14-6-4-13(20-3)5-7-14/h4-7,11-12H,8-10H2,1-3H3/t11-,12-/m0/s1
InChIKeyZTKNGGWKHZGTAL-RYUDHWBXSA-N
MW327.40 g/mol
LogP1.10
Rot. Bonds4

About 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfonylethanone

1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfonylethanone (PubChem CID 7082114) has the molecular formula C15H21NO5S and a molecular weight of 327.40 g/mol. Its IUPAC name is 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfonylethanone.

Molecular Properties

Compound Name1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfonylethanone
PubChem CID7082114
Molecular FormulaC15H21NO5S
Molecular Weight327.40 g/mol
Exact Mass327.11
IUPAC Name1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfonylethanone
SMILESCOc1ccc(S(=O)(=O)CC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C15H21NO5S/c1-11-8-16(9-12(2)21-11)15(17)10-22(18,19)14-6-4-13(20-3)5-7-14/h4-7,11-12H,8-10H2,1-3H3/t11-,12-/m0/s1
InChIKeyZTKNGGWKHZGTAL-RYUDHWBXSA-N
XLogP1.10
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-4-methoxybenzenesulfonamide
CID 31466785
4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2851611
1-(2,6-dimethylmorpholin-4-yl)-2-[(4-methoxyphenyl)methyl-methylamino]ethanone
CID 86911554
N-[(1R)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 32684720
N-[(1S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 32684724
2-(N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-4-methoxyanilino)acetic acid
CID 25220062
1-(3,5-dimethylpiperidin-1-yl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]ethanone
CID 4605622
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenoxy)ethanone
CID 102934536
1-cyclopropyl-2-(4-methoxyphenyl)sulfonylethanone
CID 64642343
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-3-methylbenzenesulfonamide
CID 42971246
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3,5-dimethoxybenzoate
CID 16523608
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2518383

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfonylethanone?
The IUPAC name of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfonylethanone (CID 7082114) is 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfonylethanone.
What is the SMILES notation for 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfonylethanone?
The canonical SMILES for 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfonylethanone is COc1ccc(S(=O)(=O)CC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1.
What is the InChIKey of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfonylethanone?
The InChIKey is ZTKNGGWKHZGTAL-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H21NO5S/c1-11-8-16(9-12(2)21-11)15(17)10-22(18,19)14-6-4-13(20-3)5-7-14/h4-7,11-12H,8-10H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfonylethanone?
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfonylethanone has a molecular weight of 327.40 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfonylethanone is sourced from PubChem (CID 7082114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).