1-[[4-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine

C15H23N3O3S — CID 96568139

IUPAC1-[[4-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine
SMILESCCN(C)S(=O)(=O)NCc1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C15H23N3O3S/c1-3-17(2)22(20,21)16-11-13-6-8-14(9-7-13)12-18-10-4-5-15(18)19/h6-9,16H,3-5,10-12H2,1-2H3
InChIKeyYFRUTPHHXIYPLN-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.10
Rot. Bonds7

About 1-[[4-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine

1-[[4-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine (PubChem CID 96568139) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 1-[[4-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine.

Molecular Properties

Compound Name1-[[4-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine
PubChem CID96568139
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name1-[[4-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine
SMILESCCN(C)S(=O)(=O)NCc1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C15H23N3O3S/c1-3-17(2)22(20,21)16-11-13-6-8-14(9-7-13)12-18-10-4-5-15(18)19/h6-9,16H,3-5,10-12H2,1-2H3
InChIKeyYFRUTPHHXIYPLN-UHFFFAOYSA-N
XLogP1.10
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-[(diethylsulfamoylamino)methyl]phenyl]methyl]-2-oxopyrrolidine
CID 87033069
4-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide
CID 53278552
1-[[2-[[[methyl(propyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine
CID 99578760
1-tert-butyl-3,5-dimethyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-sulfonamide
CID 86937122
1-[[2-[(benzylsulfamoylamino)methyl]phenyl]methyl]pyrrolidin-2-one
CID 56903516
1-[[4-[[(4-propylcyclohexyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 78903887
4-methoxy-3-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide
CID 99580883
2-methyl-1-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110917873
N,N-dimethyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94870727
N-methylsulfonyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 47232606
1-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one
CID 146669613
3-(dimethylsulfamoyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 100626204

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine?
The IUPAC name of 1-[[4-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine (CID 96568139) is 1-[[4-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine.
What is the SMILES notation for 1-[[4-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine?
The canonical SMILES for 1-[[4-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine is CCN(C)S(=O)(=O)NCc1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of 1-[[4-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine?
The InChIKey is YFRUTPHHXIYPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-3-17(2)22(20,21)16-11-13-6-8-14(9-7-13)12-18-10-4-5-15(18)19/h6-9,16H,3-5,10-12H2,1-2H3.
What are the key properties of 1-[[4-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine?
1-[[4-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine has a molecular weight of 325.43 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine is sourced from PubChem (CID 96568139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).