2,6-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonylmorpholine

C16H25N3O3S — CID 51330482

IUPAC2,6-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonylmorpholine
SMILESCC1CN(S(=O)(=O)N2CCN(c3ccccc3)CC2)CC(C)O1
InChIInChI=1S/C16H25N3O3S/c1-14-12-19(13-15(2)22-14)23(20,21)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3
InChIKeyQAXLWMBQAKQEIH-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.16
Rot. Bonds3

About 2,6-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonylmorpholine

2,6-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonylmorpholine (PubChem CID 51330482) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 2,6-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonylmorpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonylmorpholine
PubChem CID51330482
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name2,6-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonylmorpholine
SMILESCC1CN(S(=O)(=O)N2CCN(c3ccccc3)CC2)CC(C)O1
InChIInChI=1S/C16H25N3O3S/c1-14-12-19(13-15(2)22-14)23(20,21)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3
InChIKeyQAXLWMBQAKQEIH-UHFFFAOYSA-N
XLogP1.16
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,6S)-2,6-dimethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]sulfonylmorpholine
CID 34060541
(2R,6R)-2-methyl-4-morpholin-4-ylsulfonyl-6-phenylmorpholine
CID 98786694
2,6-dimethyl-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]sulfonylmorpholine
CID 42897711
(2R,6R)-2,6-dimethyl-4-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylmorpholine
CID 34060766
(2S,6S)-2,6-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-4-sulfonamide
CID 51725042
2,6-dimethyl-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]sulfonylmorpholine
CID 42954865
2,6-dimethyl-4-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]sulfonylmorpholine
CID 56575476
1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-phenoxyethanone
CID 51937065
4-[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine
CID 60500414
(3S,4R)-1-(2,6-dimethylmorpholin-4-yl)sulfonylpyrrolidine-3,4-diol
CID 79410684
2,6-dimethyl-4-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]sulfonylmorpholine
CID 55601255
1-(2,6-dimethylmorpholin-4-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 78782485

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonylmorpholine?
The IUPAC name of 2,6-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonylmorpholine (CID 51330482) is 2,6-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonylmorpholine.
What is the SMILES notation for 2,6-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonylmorpholine?
The canonical SMILES for 2,6-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonylmorpholine is CC1CN(S(=O)(=O)N2CCN(c3ccccc3)CC2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonylmorpholine?
The InChIKey is QAXLWMBQAKQEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-14-12-19(13-15(2)22-14)23(20,21)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonylmorpholine?
2,6-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonylmorpholine has a molecular weight of 339.46 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonylmorpholine is sourced from PubChem (CID 51330482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).