1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone

C19H29N3O4S2 — CID 51938857

IUPAC1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
SMILESCc1ccc(SCC(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1
InChIInChI=1S/C19H29N3O4S2/c1-15-4-6-18(7-5-15)27-14-19(23)20-8-10-21(11-9-20)28(24,25)22-12-16(2)26-17(3)13-22/h4-7,16-17H,8-14H2,1-3H3/t16-,17-/m1/s1
InChIKeyQSPOBEDRXULVEY-IAGOWNOFSA-N
MW427.59 g/mol
LogP1.59
Rot. Bonds5

About 1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone

1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone (PubChem CID 51938857) has the molecular formula C19H29N3O4S2 and a molecular weight of 427.59 g/mol. Its IUPAC name is 1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
PubChem CID51938857
Molecular FormulaC19H29N3O4S2
Molecular Weight427.59 g/mol
Exact Mass427.16
IUPAC Name1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
SMILESCc1ccc(SCC(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1
InChIInChI=1S/C19H29N3O4S2/c1-15-4-6-18(7-5-15)27-14-19(23)20-8-10-21(11-9-20)28(24,25)22-12-16(2)26-17(3)13-22/h4-7,16-17H,8-14H2,1-3H3/t16-,17-/m1/s1
InChIKeyQSPOBEDRXULVEY-IAGOWNOFSA-N
XLogP1.59
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone with MolForge

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Related Compounds

[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 46452768
1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-phenoxyethanone
CID 51937065
1-(2,6-dimethylmorpholin-4-yl)-3-(4-methylphenyl)sulfanylpropan-1-one
CID 17187441
2-(4-methylphenyl)sulfanyl-1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 46566261
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 9151130
1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-(4-nitrophenyl)ethanone
CID 51938844
1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 55617707
4-amino-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]pentan-1-one
CID 120560564
N-[3-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 46412219
2,6-dimethyl-4-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]sulfonylmorpholine
CID 46405709
1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 31794014
3-[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
CID 55619945

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone?
The IUPAC name of 1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone (CID 51938857) is 1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone.
What is the SMILES notation for 1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone?
The canonical SMILES for 1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone is Cc1ccc(SCC(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1.
What is the InChIKey of 1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone?
The InChIKey is QSPOBEDRXULVEY-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H29N3O4S2/c1-15-4-6-18(7-5-15)27-14-19(23)20-8-10-21(11-9-20)28(24,25)22-12-16(2)26-17(3)13-22/h4-7,16-17H,8-14H2,1-3H3/t16-,17-/m1/s1.
What are the key properties of 1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone?
1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone has a molecular weight of 427.59 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone is sourced from PubChem (CID 51938857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).