1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid

C6H12N2O4S — CID 114805995

IUPAC1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid
SMILESCNS(=O)(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C6H12N2O4S/c1-7-13(11,12)8-3-2-5(4-8)6(9)10/h5,7H,2-4H2,1H3,(H,9,10)
InChIKeyRQIOUVKYQBVEJK-UHFFFAOYSA-N
MW208.24 g/mol
LogP-1.14
Rot. Bonds3

About 1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid

1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 114805995) has the molecular formula C6H12N2O4S and a molecular weight of 208.24 g/mol. Its IUPAC name is 1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid
PubChem CID114805995
Molecular FormulaC6H12N2O4S
Molecular Weight208.24 g/mol
Exact Mass208.05
IUPAC Name1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid
SMILESCNS(=O)(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C6H12N2O4S/c1-7-13(11,12)8-3-2-5(4-8)6(9)10/h5,7H,2-4H2,1H3,(H,9,10)
InChIKeyRQIOUVKYQBVEJK-UHFFFAOYSA-N
XLogP-1.14
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methanesulfonylpyrrolidine-3-carboxylic acid
CID 21076148
1-(Fluorosulfonyl)pyrrolidine-3-carboxylic acid
CID 165690980
4-Methyl-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 113636803
(3S,4S)-4-methyl-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 114085518
1-(2,2,2-Trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 114805996
3-Methyl-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 114806071
1-(Propylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 114806138
1-(Methylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 114806139
1-(Ethylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 114806141
1-(2-Methylpropylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 114814592
(3S,4S)-1-(propan-2-ylsulfamoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 121832221
(3S,4S)-1-(propylsulfamoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122083172

Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid (CID 114805995) is 1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid is CNS(=O)(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is RQIOUVKYQBVEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4S/c1-7-13(11,12)8-3-2-5(4-8)6(9)10/h5,7H,2-4H2,1H3,(H,9,10).
What are the key properties of 1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid?
1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 208.24 g/mol, XLogP of -1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 114805995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).