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

C16H25N3O3S — CID 99578760

IUPAC1-[[2-[[[methyl(propyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine
SMILESCCCN(C)S(=O)(=O)NCc1ccccc1CN1CCCC1=O
InChIInChI=1S/C16H25N3O3S/c1-3-10-18(2)23(21,22)17-12-14-7-4-5-8-15(14)13-19-11-6-9-16(19)20/h4-5,7-8,17H,3,6,9-13H2,1-2H3
InChIKeyLWYGDANAXPPVRO-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.49
Rot. Bonds8

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

1-[[2-[[[methyl(propyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine (PubChem CID 99578760) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-[[2-[[[methyl(propyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine.

Molecular Properties

Compound Name1-[[2-[[[methyl(propyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine
PubChem CID99578760
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name1-[[2-[[[methyl(propyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine
SMILESCCCN(C)S(=O)(=O)NCc1ccccc1CN1CCCC1=O
InChIInChI=1S/C16H25N3O3S/c1-3-10-18(2)23(21,22)17-12-14-7-4-5-8-15(14)13-19-11-6-9-16(19)20/h4-5,7-8,17H,3,6,9-13H2,1-2H3
InChIKeyLWYGDANAXPPVRO-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-[[2-[(benzylsulfamoylamino)methyl]phenyl]methyl]pyrrolidin-2-one
CID 56903516
1-[[4-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine
CID 96568139
1-[[4-[(diethylsulfamoylamino)methyl]phenyl]methyl]-2-oxopyrrolidine
CID 87033069
N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 34108495
5-bromo-2-methoxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide
CID 34108511
2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 113314919
1-[(2-ethylphenyl)methyl]-2-methyl-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111635783
1-[[2-[[(2-methylsulfonylcyclohexyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 136520485
1-benzyl-2-methyl-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110952355
2-(2-ethoxy-N-methylsulfonylanilino)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30220336
1,2-dimethyl-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine
CID 110914901
1,3-diethyl-2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110914902

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[[[methyl(propyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine?
The IUPAC name of 1-[[2-[[[methyl(propyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine (CID 99578760) is 1-[[2-[[[methyl(propyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine.
What is the SMILES notation for 1-[[2-[[[methyl(propyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine?
The canonical SMILES for 1-[[2-[[[methyl(propyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine is CCCN(C)S(=O)(=O)NCc1ccccc1CN1CCCC1=O.
What is the InChIKey of 1-[[2-[[[methyl(propyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine?
The InChIKey is LWYGDANAXPPVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-3-10-18(2)23(21,22)17-12-14-7-4-5-8-15(14)13-19-11-6-9-16(19)20/h4-5,7-8,17H,3,6,9-13H2,1-2H3.
What are the key properties of 1-[[2-[[[methyl(propyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine?
1-[[2-[[[methyl(propyl)sulfamoyl]amino]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-[[2-[[[methyl(propyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine is sourced from PubChem (CID 99578760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).