4-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,6-dimethylmorpholine

C18H28N2O4S — CID 51331124

IUPAC4-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,6-dimethylmorpholine
SMILESCCOc1ccc(C2CCCN2S(=O)(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C18H28N2O4S/c1-4-23-17-9-7-16(8-10-17)18-6-5-11-20(18)25(21,22)19-12-14(2)24-15(3)13-19/h7-10,14-15,18H,4-6,11-13H2,1-3H3
InChIKeyWGPBPGYMRNMLCO-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.58
Rot. Bonds5

About 4-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,6-dimethylmorpholine

4-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,6-dimethylmorpholine (PubChem CID 51331124) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 4-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,6-dimethylmorpholine
PubChem CID51331124
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name4-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,6-dimethylmorpholine
SMILESCCOc1ccc(C2CCCN2S(=O)(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C18H28N2O4S/c1-4-23-17-9-7-16(8-10-17)18-6-5-11-20(18)25(21,22)19-12-14(2)24-15(3)13-19/h7-10,14-15,18H,4-6,11-13H2,1-3H3
InChIKeyWGPBPGYMRNMLCO-UHFFFAOYSA-N
XLogP2.58
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,6R)-4-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,6-dimethylmorpholine
CID 129376938
4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]sulfonyl-2,6-dimethylmorpholine
CID 46511252
1-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)pyrrolidine
CID 24511415
(2S,6S)-4-[(2S)-2-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]sulfonyl-2,6-dimethylmorpholine
CID 126417237
2-(4-ethoxyphenyl)-1-[(4-nitrophenyl)methylsulfonyl]pyrrolidine
CID 55544400
5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
CID 42939523
4-[2-(4-methoxyphenyl)azepan-1-yl]sulfonylmorpholine
CID 51335671
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 134017853
ethyl (3R)-1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate
CID 34052695
4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperazine-1-sulfonamide
CID 146122524
tert-butyl (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpyrrolidine-2-carboxylate
CID 95789114
4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 46662798

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,6-dimethylmorpholine (CID 51331124) is 4-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,6-dimethylmorpholine is CCOc1ccc(C2CCCN2S(=O)(=O)N2CC(C)OC(C)C2)cc1.
What is the InChIKey of 4-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,6-dimethylmorpholine?
The InChIKey is WGPBPGYMRNMLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-4-23-17-9-7-16(8-10-17)18-6-5-11-20(18)25(21,22)19-12-14(2)24-15(3)13-19/h7-10,14-15,18H,4-6,11-13H2,1-3H3.
What are the key properties of 4-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,6-dimethylmorpholine?
4-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,6-dimethylmorpholine has a molecular weight of 368.50 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 51331124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).