1-(dipropylsulfamoyl)pyrrolidine-3-carboxylic acid

C11H22N2O4S — CID 63031321

IUPAC1-(dipropylsulfamoyl)pyrrolidine-3-carboxylic acid
SMILESCCCN(CCC)S(=O)(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C11H22N2O4S/c1-3-6-12(7-4-2)18(16,17)13-8-5-10(9-13)11(14)15/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyNABSXPVSFFCVGK-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.76
Rot. Bonds7

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

1-(dipropylsulfamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 63031321) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-(dipropylsulfamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(dipropylsulfamoyl)pyrrolidine-3-carboxylic acid
PubChem CID63031321
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name1-(dipropylsulfamoyl)pyrrolidine-3-carboxylic acid
SMILESCCCN(CCC)S(=O)(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C11H22N2O4S/c1-3-6-12(7-4-2)18(16,17)13-8-5-10(9-13)11(14)15/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyNABSXPVSFFCVGK-UHFFFAOYSA-N
XLogP0.76
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(dipropylsulfamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(dipropylsulfamoyl)pyrrolidine-3-carboxylic acid (CID 63031321) is 1-(dipropylsulfamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(dipropylsulfamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(dipropylsulfamoyl)pyrrolidine-3-carboxylic acid is CCCN(CCC)S(=O)(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-(dipropylsulfamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is NABSXPVSFFCVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-3-6-12(7-4-2)18(16,17)13-8-5-10(9-13)11(14)15/h10H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 1-(dipropylsulfamoyl)pyrrolidine-3-carboxylic acid?
1-(dipropylsulfamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 278.37 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dipropylsulfamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63031321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).