1-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide

C15H21N3O4S — CID 168719153

IUPAC1-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ccccc2CN2CCOCC2)C1
InChIInChI=1S/C15H21N3O4S/c16-23(20,21)13-9-15(19)18(11-13)14-4-2-1-3-12(14)10-17-5-7-22-8-6-17/h1-4,13H,5-11H2,(H2,16,20,21)
InChIKeyXMCYJTRORRHAJV-UHFFFAOYSA-N
MW339.42 g/mol
LogP-0.09
Rot. Bonds4

About 1-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide

1-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168719153) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
PubChem CID168719153
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name1-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ccccc2CN2CCOCC2)C1
InChIInChI=1S/C15H21N3O4S/c16-23(20,21)13-9-15(19)18(11-13)14-4-2-1-3-12(14)10-17-5-7-22-8-6-17/h1-4,13H,5-11H2,(H2,16,20,21)
InChIKeyXMCYJTRORRHAJV-UHFFFAOYSA-N
XLogP-0.09
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-oxo-1-[2-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide
CID 168719152
5-oxo-1-[2-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712710
S-[1-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidin-3-yl] ethanethioate
CID 168706989
1-(2-amino-3-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719409
4-hydroxy-1-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-2-one
CID 168703708
1-(3-methyl-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717645
4-ethynyl-1-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-2-one
CID 168502589
4-(chloromethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-2-one
CID 168509230
5-oxo-1-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide
CID 168719381
1-(2-ethylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 112772299
1-[2-(hydroxymethyl)-4-methylphenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717669
1-[2-(cyanomethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712705

Frequently Asked Questions

What is the IUPAC name of 1-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide (CID 168719153) is 1-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2ccccc2CN2CCOCC2)C1.
What is the InChIKey of 1-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is XMCYJTRORRHAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c16-23(20,21)13-9-15(19)18(11-13)14-4-2-1-3-12(14)10-17-5-7-22-8-6-17/h1-4,13H,5-11H2,(H2,16,20,21).
What are the key properties of 1-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide?
1-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 339.42 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168719153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).