4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylmorpholine

C16H24N2O5S — CID 51335623

IUPAC4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylmorpholine
SMILESCOc1ccc(C2CCCN2S(=O)(=O)N2CCOCC2)c(OC)c1
InChIInChI=1S/C16H24N2O5S/c1-21-13-5-6-14(16(12-13)22-2)15-4-3-7-18(15)24(19,20)17-8-10-23-11-9-17/h5-6,12,15H,3-4,7-11H2,1-2H3
InChIKeyWZMWSJADVRJCPT-UHFFFAOYSA-N
MW356.44 g/mol
LogP1.42
Rot. Bonds5

About 4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylmorpholine

4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylmorpholine (PubChem CID 51335623) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is 4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylmorpholine
PubChem CID51335623
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylmorpholine
SMILESCOc1ccc(C2CCCN2S(=O)(=O)N2CCOCC2)c(OC)c1
InChIInChI=1S/C16H24N2O5S/c1-21-13-5-6-14(16(12-13)22-2)15-4-3-7-18(15)24(19,20)17-8-10-23-11-9-17/h5-6,12,15H,3-4,7-11H2,1-2H3
InChIKeyWZMWSJADVRJCPT-UHFFFAOYSA-N
XLogP1.42
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylazepane
CID 46688857
4-[2-(4-methoxyphenyl)azepan-1-yl]sulfonylmorpholine
CID 51335671
(2R)-2-(2,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine
CID 26531225
2-(2,4-dimethoxyphenyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 46633684
1-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxamide
CID 96999906
1-(5-chlorothiophen-2-yl)sulfonyl-2-(2,4-dimethoxyphenyl)pyrrolidine
CID 24511085
5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole
CID 95788624
methyl 3-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 55515450
(2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine
CID 94709986
4-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]butane-1-sulfonic acid
CID 8834922
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]sulfonylmorpholine
CID 71935520

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylmorpholine (CID 51335623) is 4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylmorpholine is COc1ccc(C2CCCN2S(=O)(=O)N2CCOCC2)c(OC)c1.
What is the InChIKey of 4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylmorpholine?
The InChIKey is WZMWSJADVRJCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-21-13-5-6-14(16(12-13)22-2)15-4-3-7-18(15)24(19,20)17-8-10-23-11-9-17/h5-6,12,15H,3-4,7-11H2,1-2H3.
What are the key properties of 4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylmorpholine?
4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylmorpholine has a molecular weight of 356.44 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 51335623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).