4-[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide

C18H28N4O4S — CID 171996432

IUPAC4-[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide
SMILESCC1CN(C(=O)CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CC(C)O1
InChIInChI=1S/C18H28N4O4S/c1-14-11-22(12-15(2)26-14)18(23)13-20-7-9-21(10-8-20)16-3-5-17(6-4-16)27(19,24)25/h3-6,14-15H,7-13H2,1-2H3,(H2,19,24,25)
InChIKeyKLDCVGQZTYHIBN-UHFFFAOYSA-N
MW396.51 g/mol
LogP0.09
Rot. Bonds4

About 4-[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide

4-[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide (PubChem CID 171996432) has the molecular formula C18H28N4O4S and a molecular weight of 396.51 g/mol. Its IUPAC name is 4-[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide
PubChem CID171996432
Molecular FormulaC18H28N4O4S
Molecular Weight396.51 g/mol
Exact Mass396.18
IUPAC Name4-[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide
SMILESCC1CN(C(=O)CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CC(C)O1
InChIInChI=1S/C18H28N4O4S/c1-14-11-22(12-15(2)26-14)18(23)13-20-7-9-21(10-8-20)16-3-5-17(6-4-16)27(19,24)25/h3-6,14-15H,7-13H2,1-2H3,(H2,19,24,25)
InChIKeyKLDCVGQZTYHIBN-UHFFFAOYSA-N
XLogP0.09
TPSA96.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide
CID 171995786
4-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide
CID 78877654
1-(2,6-dimethylmorpholin-4-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 78782485
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 78782366
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 8819185
N-cyclohexyl-N-methyl-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide
CID 78877655
2-(4-aminopiperidin-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 43556595
2-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917312
N-(6-methylheptan-2-yl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide
CID 78877647
1-(2,6-dimethylmorpholin-4-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282275
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]ethanone
CID 90507580
4-[4-(3-aminopropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 119843946

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide (CID 171996432) is 4-[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide is CC1CN(C(=O)CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CC(C)O1.
What is the InChIKey of 4-[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide?
The InChIKey is KLDCVGQZTYHIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4S/c1-14-11-22(12-15(2)26-14)18(23)13-20-7-9-21(10-8-20)16-3-5-17(6-4-16)27(19,24)25/h3-6,14-15H,7-13H2,1-2H3,(H2,19,24,25).
What are the key properties of 4-[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide?
4-[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide has a molecular weight of 396.51 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 171996432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).