4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]sulfonylmorpholine

C16H24N2O4S — CID 71935520

IUPAC4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]sulfonylmorpholine
SMILESCOc1ccccc1CC1CCCN1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H24N2O4S/c1-21-16-7-3-2-5-14(16)13-15-6-4-8-18(15)23(19,20)17-9-11-22-12-10-17/h2-3,5,7,15H,4,6,8-13H2,1H3
InChIKeyMXPXPJYCDJLLCZ-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.28
Rot. Bonds5

About 4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]sulfonylmorpholine

4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]sulfonylmorpholine (PubChem CID 71935520) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is 4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]sulfonylmorpholine
PubChem CID71935520
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]sulfonylmorpholine
SMILESCOc1ccccc1CC1CCCN1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H24N2O4S/c1-21-16-7-3-2-5-14(16)13-15-6-4-8-18(15)23(19,20)17-9-11-22-12-10-17/h2-3,5,7,15H,4,6,8-13H2,1H3
InChIKeyMXPXPJYCDJLLCZ-UHFFFAOYSA-N
XLogP1.28
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxyphenyl)methyl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 136579692
(2S)-2-[(2-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 97000881
4-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]sulfonylmorpholine
CID 124943452
(2S)-1-[[(4S)-1,3-dioxan-4-yl]methyl]-2-[(2-methoxyphenyl)methyl]pyrrolidine
CID 97317603
4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylmorpholine
CID 51335623
4-[(2R)-2-ethylpiperidin-1-yl]sulfonylmorpholine
CID 94018182
N-[2-[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]ethanesulfonamide
CID 95249606
[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95151432
1-[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 94805864
tert-butyl (2S)-2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate
CID 50905252
4-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673250
[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 94816958

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]sulfonylmorpholine (CID 71935520) is 4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]sulfonylmorpholine is COc1ccccc1CC1CCCN1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]sulfonylmorpholine?
The InChIKey is MXPXPJYCDJLLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-21-16-7-3-2-5-14(16)13-15-6-4-8-18(15)23(19,20)17-9-11-22-12-10-17/h2-3,5,7,15H,4,6,8-13H2,1H3.
What are the key properties of 4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]sulfonylmorpholine?
4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]sulfonylmorpholine has a molecular weight of 340.44 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 71935520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).