(3R)-1-(dimethylsulfamoyl)pyrrolidine-3-carboxylic acid

C7H14N2O4S — CID 59652928

IUPAC(3R)-1-(dimethylsulfamoyl)pyrrolidine-3-carboxylic acid
SMILESCN(C)S(=O)(=O)N1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C7H14N2O4S/c1-8(2)14(12,13)9-4-3-6(5-9)7(10)11/h6H,3-5H2,1-2H3,(H,10,11)/t6-/m1/s1
InChIKeyYLKGKWRNRPMDAD-ZCFIWIBFSA-N
MW222.27 g/mol
LogP-0.80
Rot. Bonds3

About (3R)-1-(dimethylsulfamoyl)pyrrolidine-3-carboxylic acid

(3R)-1-(dimethylsulfamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 59652928) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is (3R)-1-(dimethylsulfamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(dimethylsulfamoyl)pyrrolidine-3-carboxylic acid
PubChem CID59652928
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name(3R)-1-(dimethylsulfamoyl)pyrrolidine-3-carboxylic acid
SMILESCN(C)S(=O)(=O)N1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C7H14N2O4S/c1-8(2)14(12,13)9-4-3-6(5-9)7(10)11/h6H,3-5H2,1-2H3,(H,10,11)/t6-/m1/s1
InChIKeyYLKGKWRNRPMDAD-ZCFIWIBFSA-N
XLogP-0.80
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(dimethylsulfamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(dimethylsulfamoyl)pyrrolidine-3-carboxylic acid (CID 59652928) is (3R)-1-(dimethylsulfamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(dimethylsulfamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(dimethylsulfamoyl)pyrrolidine-3-carboxylic acid is CN(C)S(=O)(=O)N1CC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-(dimethylsulfamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is YLKGKWRNRPMDAD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14N2O4S/c1-8(2)14(12,13)9-4-3-6(5-9)7(10)11/h6H,3-5H2,1-2H3,(H,10,11)/t6-/m1/s1.
What are the key properties of (3R)-1-(dimethylsulfamoyl)pyrrolidine-3-carboxylic acid?
(3R)-1-(dimethylsulfamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 222.27 g/mol, XLogP of -0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(dimethylsulfamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 59652928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).