1-(dimethylsulfamoyl)-5-oxopyrrolidine-2-carboxylic acid

C7H12N2O5S — CID 82116702

IUPAC1-(dimethylsulfamoyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESCN(C)S(=O)(=O)N1C(=O)CCC1C(=O)O
InChIInChI=1S/C7H12N2O5S/c1-8(2)15(13,14)9-5(7(11)12)3-4-6(9)10/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyMLMLSSHLBZNMBR-UHFFFAOYSA-N
MW236.25 g/mol
LogP-1.13
Rot. Bonds3

About 1-(dimethylsulfamoyl)-5-oxopyrrolidine-2-carboxylic acid

1-(dimethylsulfamoyl)-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 82116702) has the molecular formula C7H12N2O5S and a molecular weight of 236.25 g/mol. Its IUPAC name is 1-(dimethylsulfamoyl)-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(dimethylsulfamoyl)-5-oxopyrrolidine-2-carboxylic acid
PubChem CID82116702
Molecular FormulaC7H12N2O5S
Molecular Weight236.25 g/mol
Exact Mass236.05
IUPAC Name1-(dimethylsulfamoyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESCN(C)S(=O)(=O)N1C(=O)CCC1C(=O)O
InChIInChI=1S/C7H12N2O5S/c1-8(2)15(13,14)9-5(7(11)12)3-4-6(9)10/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyMLMLSSHLBZNMBR-UHFFFAOYSA-N
XLogP-1.13
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-1-sulfopyrrolidine-2-carboxylic acid
CID 174466730
tetrakis((2R)-1-methyl-5-oxopyrrolidine-2-carboxylic acid);bis(rhodium)
CID 11297246
(3S,8S)-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxylic acid
CID 45082702
1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 19002576
(2R)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 59309467
1-(dimethylsulfamoyl)azepane-2-carboxylic acid
CID 64561301
5-oxo-1-(2-propylsulfonylethyl)pyrrolidine-2-carboxylic acid
CID 106726403
N-cyclopropyl-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide
CID 110387755
(2S)-1-cyclobutyl-5-oxopyrrolidine-2-carboxylic acid
CID 67462914
(2S)-1-cyclopentyl-5-oxopyrrolidine-2-carboxylic acid
CID 67459886
1-methylsulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 110387754
(2S)-1-[[4-(dimethylamino)phenyl]methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 42127400

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoyl)-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(dimethylsulfamoyl)-5-oxopyrrolidine-2-carboxylic acid (CID 82116702) is 1-(dimethylsulfamoyl)-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(dimethylsulfamoyl)-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(dimethylsulfamoyl)-5-oxopyrrolidine-2-carboxylic acid is CN(C)S(=O)(=O)N1C(=O)CCC1C(=O)O.
What is the InChIKey of 1-(dimethylsulfamoyl)-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is MLMLSSHLBZNMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O5S/c1-8(2)15(13,14)9-5(7(11)12)3-4-6(9)10/h5H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 1-(dimethylsulfamoyl)-5-oxopyrrolidine-2-carboxylic acid?
1-(dimethylsulfamoyl)-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 236.25 g/mol, XLogP of -1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoyl)-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 82116702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).