1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-phenoxyethanone

C18H27N3O5S — CID 51937065

IUPAC1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-phenoxyethanone
SMILESC[C@H]1CN(S(=O)(=O)N2CCN(C(=O)COc3ccccc3)CC2)C[C@H](C)O1
InChIInChI=1S/C18H27N3O5S/c1-15-12-21(13-16(2)26-15)27(23,24)20-10-8-19(9-11-20)18(22)14-25-17-6-4-3-5-7-17/h3-7,15-16H,8-14H2,1-2H3/t15-,16-/m0/s1
InChIKeyAISZHFHXHNAJHY-HOTGVXAUSA-N
MW397.50 g/mol
LogP0.56
Rot. Bonds5

About 1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-phenoxyethanone

1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-phenoxyethanone (PubChem CID 51937065) has the molecular formula C18H27N3O5S and a molecular weight of 397.50 g/mol. Its IUPAC name is 1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-phenoxyethanone
PubChem CID51937065
Molecular FormulaC18H27N3O5S
Molecular Weight397.50 g/mol
Exact Mass397.17
IUPAC Name1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-phenoxyethanone
SMILESC[C@H]1CN(S(=O)(=O)N2CCN(C(=O)COc3ccccc3)CC2)C[C@H](C)O1
InChIInChI=1S/C18H27N3O5S/c1-15-12-21(13-16(2)26-15)27(23,24)20-10-8-19(9-11-20)18(22)14-25-17-6-4-3-5-7-17/h3-7,15-16H,8-14H2,1-2H3/t15-,16-/m0/s1
InChIKeyAISZHFHXHNAJHY-HOTGVXAUSA-N
XLogP0.56
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-phenoxyethanone with MolForge

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Related Compounds

1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-phenoxyethanone
CID 754225
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-4-(3-fluorophenoxy)butan-1-one
CID 55939893
N-[3-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 46412219
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenoxy)ethanone
CID 27233616
(E)-N-[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]-3-phenylprop-2-enamide
CID 55636558
1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone
CID 47914743
1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 51938857
1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-phenoxyethanone
CID 102937749
3-[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
CID 55619945
2,6-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonylmorpholine
CID 51330482

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-phenoxyethanone (CID 51937065) is 1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-phenoxyethanone is C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)COc3ccccc3)CC2)C[C@H](C)O1.
What is the InChIKey of 1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-phenoxyethanone?
The InChIKey is AISZHFHXHNAJHY-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H27N3O5S/c1-15-12-21(13-16(2)26-15)27(23,24)20-10-8-19(9-11-20)18(22)14-25-17-6-4-3-5-7-17/h3-7,15-16H,8-14H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of 1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-phenoxyethanone?
1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-phenoxyethanone has a molecular weight of 397.50 g/mol, XLogP of 0.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 51937065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).