4-[4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine

C19H31N3O7S2 — CID 55627528

IUPAC4-[4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)N3CC(C)OC(C)C3)CC2)cc1OC
InChIInChI=1S/C19H31N3O7S2/c1-14-10-17(27-4)18(28-5)11-19(14)30(23,24)20-6-8-21(9-7-20)31(25,26)22-12-15(2)29-16(3)13-22/h10-11,15-16H,6-9,12-13H2,1-5H3
InChIKeyJJMCNVIDJOPAAL-UHFFFAOYSA-N
MW477.61 g/mol
LogP0.67
Rot. Bonds6

About 4-[4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine

4-[4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine (PubChem CID 55627528) has the molecular formula C19H31N3O7S2 and a molecular weight of 477.61 g/mol. Its IUPAC name is 4-[4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine
PubChem CID55627528
Molecular FormulaC19H31N3O7S2
Molecular Weight477.61 g/mol
Exact Mass477.16
IUPAC Name4-[4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)N3CC(C)OC(C)C3)CC2)cc1OC
InChIInChI=1S/C19H31N3O7S2/c1-14-10-17(27-4)18(28-5)11-19(14)30(23,24)20-6-8-21(9-7-20)31(25,26)22-12-15(2)29-16(3)13-22/h10-11,15-16H,6-9,12-13H2,1-5H3
InChIKeyJJMCNVIDJOPAAL-UHFFFAOYSA-N
XLogP0.67
TPSA105.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,6R)-4-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 9185861
(2R,6S)-4-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 9185850
4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine
CID 55627500
(2R,6S)-4-(5-bromo-2-methoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7314575
4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazine-1-carbaldehyde
CID 110758854
(3S)-1-(4,5-dimethoxy-2-methylphenyl)sulfonyl-3-methylpiperazine
CID 104976424
[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 51937047
4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 47304289
4-(2-methoxy-5-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2933021
(3R)-1-(4,5-dimethoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962598
1-(4,5-dimethoxy-2-methylphenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963342
4-(2,5-diethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 6460147

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-[4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine (CID 55627528) is 4-[4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-[4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine is COc1cc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)N3CC(C)OC(C)C3)CC2)cc1OC.
What is the InChIKey of 4-[4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine?
The InChIKey is JJMCNVIDJOPAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O7S2/c1-14-10-17(27-4)18(28-5)11-19(14)30(23,24)20-6-8-21(9-7-20)31(25,26)22-12-15(2)29-16(3)13-22/h10-11,15-16H,6-9,12-13H2,1-5H3.
What are the key properties of 4-[4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine?
4-[4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine has a molecular weight of 477.61 g/mol, XLogP of 0.67, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 55627528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).