1-[[4-[(diethylsulfamoylamino)methyl]phenyl]methyl]-2-oxopyrrolidine

C16H25N3O3S — CID 87033069

IUPAC1-[[4-[(diethylsulfamoylamino)methyl]phenyl]methyl]-2-oxopyrrolidine
SMILESCCN(CC)S(=O)(=O)NCc1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C16H25N3O3S/c1-3-19(4-2)23(21,22)17-12-14-7-9-15(10-8-14)13-18-11-5-6-16(18)20/h7-10,17H,3-6,11-13H2,1-2H3
InChIKeyVIBZCZOHXBUGRC-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.49
Rot. Bonds8

About 1-[[4-[(diethylsulfamoylamino)methyl]phenyl]methyl]-2-oxopyrrolidine

1-[[4-[(diethylsulfamoylamino)methyl]phenyl]methyl]-2-oxopyrrolidine (PubChem CID 87033069) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-[[4-[(diethylsulfamoylamino)methyl]phenyl]methyl]-2-oxopyrrolidine.

Molecular Properties

Compound Name1-[[4-[(diethylsulfamoylamino)methyl]phenyl]methyl]-2-oxopyrrolidine
PubChem CID87033069
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name1-[[4-[(diethylsulfamoylamino)methyl]phenyl]methyl]-2-oxopyrrolidine
SMILESCCN(CC)S(=O)(=O)NCc1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C16H25N3O3S/c1-3-19(4-2)23(21,22)17-12-14-7-9-15(10-8-14)13-18-11-5-6-16(18)20/h7-10,17H,3-6,11-13H2,1-2H3
InChIKeyVIBZCZOHXBUGRC-UHFFFAOYSA-N
XLogP1.49
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine
CID 96568139
4-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide
CID 53278552
6-[(diethylsulfamoylamino)methyl]-1-methyl-3,4-dihydro-2H-quinoline
CID 86870483
N-[4-(diethylsulfamoyl)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 30394443
1-tert-butyl-3,5-dimethyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-sulfonamide
CID 86937122
1-[[4-[[(4-propylcyclohexyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 78903887
1-(aminomethyl)-4-[(diethylsulfamoylamino)methyl]benzene
CID 54936307
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-methylsulfonyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 47232606
1-[[2-[[[methyl(propyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine
CID 99578760
1-[[2-[(benzylsulfamoylamino)methyl]phenyl]methyl]pyrrolidin-2-one
CID 56903516

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(diethylsulfamoylamino)methyl]phenyl]methyl]-2-oxopyrrolidine?
The IUPAC name of 1-[[4-[(diethylsulfamoylamino)methyl]phenyl]methyl]-2-oxopyrrolidine (CID 87033069) is 1-[[4-[(diethylsulfamoylamino)methyl]phenyl]methyl]-2-oxopyrrolidine.
What is the SMILES notation for 1-[[4-[(diethylsulfamoylamino)methyl]phenyl]methyl]-2-oxopyrrolidine?
The canonical SMILES for 1-[[4-[(diethylsulfamoylamino)methyl]phenyl]methyl]-2-oxopyrrolidine is CCN(CC)S(=O)(=O)NCc1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of 1-[[4-[(diethylsulfamoylamino)methyl]phenyl]methyl]-2-oxopyrrolidine?
The InChIKey is VIBZCZOHXBUGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-3-19(4-2)23(21,22)17-12-14-7-9-15(10-8-14)13-18-11-5-6-16(18)20/h7-10,17H,3-6,11-13H2,1-2H3.
What are the key properties of 1-[[4-[(diethylsulfamoylamino)methyl]phenyl]methyl]-2-oxopyrrolidine?
1-[[4-[(diethylsulfamoylamino)methyl]phenyl]methyl]-2-oxopyrrolidine has a molecular weight of 339.46 g/mol, XLogP of 1.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(diethylsulfamoylamino)methyl]phenyl]methyl]-2-oxopyrrolidine is sourced from PubChem (CID 87033069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).