1-[2-(dimethylsulfamoyl)ethylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid

C11H21N3O5S — CID 106341166

IUPAC1-[2-(dimethylsulfamoyl)ethylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid
SMILESCN(C)S(=O)(=O)CCNC(=O)N1CCCC1(C)C(=O)O
InChIInChI=1S/C11H21N3O5S/c1-11(9(15)16)5-4-7-14(11)10(17)12-6-8-20(18,19)13(2)3/h4-8H2,1-3H3,(H,12,17)(H,15,16)
InChIKeyCPLZLFVKCMIXJV-UHFFFAOYSA-N
MW307.37 g/mol
LogP-0.47
Rot. Bonds5

About 1-[2-(dimethylsulfamoyl)ethylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid

1-[2-(dimethylsulfamoyl)ethylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 106341166) has the molecular formula C11H21N3O5S and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-[2-(dimethylsulfamoyl)ethylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylsulfamoyl)ethylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid
PubChem CID106341166
Molecular FormulaC11H21N3O5S
Molecular Weight307.37 g/mol
Exact Mass307.12
IUPAC Name1-[2-(dimethylsulfamoyl)ethylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid
SMILESCN(C)S(=O)(=O)CCNC(=O)N1CCCC1(C)C(=O)O
InChIInChI=1S/C11H21N3O5S/c1-11(9(15)16)5-4-7-14(11)10(17)12-6-8-20(18,19)13(2)3/h4-8H2,1-3H3,(H,12,17)(H,15,16)
InChIKeyCPLZLFVKCMIXJV-UHFFFAOYSA-N
XLogP-0.47
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 104595535
1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597979
2-methyl-1-(pent-3-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 116644863
2-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 103994653
2-methyl-1-(5-methylhexylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 113287701
1-[(3-amino-3-oxopropyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597930
2-methyl-1-(octylcarbamoyl)piperidine-2-carboxylic acid
CID 104598392
2-methyl-1-[methyl(2-methylsulfonylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79863871
1-(2-ethylsulfinylethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 113495111
1-[2-(2-methoxyethoxy)ethylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598137
1-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid
CID 103996340
2-methyl-1-(2,3,3-trimethylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83144196

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylsulfamoyl)ethylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(dimethylsulfamoyl)ethylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid (CID 106341166) is 1-[2-(dimethylsulfamoyl)ethylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylsulfamoyl)ethylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylsulfamoyl)ethylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid is CN(C)S(=O)(=O)CCNC(=O)N1CCCC1(C)C(=O)O.
What is the InChIKey of 1-[2-(dimethylsulfamoyl)ethylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is CPLZLFVKCMIXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5S/c1-11(9(15)16)5-4-7-14(11)10(17)12-6-8-20(18,19)13(2)3/h4-8H2,1-3H3,(H,12,17)(H,15,16).
What are the key properties of 1-[2-(dimethylsulfamoyl)ethylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid?
1-[2-(dimethylsulfamoyl)ethylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 307.37 g/mol, XLogP of -0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylsulfamoyl)ethylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106341166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).