1-(dipropylsulfamoyl)-3-methylpyrrolidine-3-carboxylic acid

C12H24N2O4S — CID 63149519

IUPAC1-(dipropylsulfamoyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCCCN(CCC)S(=O)(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C12H24N2O4S/c1-4-7-13(8-5-2)19(17,18)14-9-6-12(3,10-14)11(15)16/h4-10H2,1-3H3,(H,15,16)
InChIKeyJAFJHSPEMSAUFD-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.15
Rot. Bonds7

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

1-(dipropylsulfamoyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63149519) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(dipropylsulfamoyl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(dipropylsulfamoyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63149519
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name1-(dipropylsulfamoyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCCCN(CCC)S(=O)(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C12H24N2O4S/c1-4-7-13(8-5-2)19(17,18)14-9-6-12(3,10-14)11(15)16/h4-10H2,1-3H3,(H,15,16)
InChIKeyJAFJHSPEMSAUFD-UHFFFAOYSA-N
XLogP1.15
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(dipropylsulfamoyl)-3-methylpyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(methoxycarbonylsulfamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 114462622
1-butylsulfonyl-4-methylpiperidine-4-carboxylic acid
CID 63123967
1-(2-methoxybutylsulfonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 122103589
2-[azetidin-1-ylsulfonyl(propyl)amino]acetic acid
CID 122071260
1-(2-methoxy-2-methylpropyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 122071041
1-(6-methoxy-6-oxohexyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 122071016
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 63145667
1-(dipropylsulfamoyl)piperidine-3-carboxylic acid
CID 43169481
3-methyl-1-[methyl(propyl)carbamoyl]piperidine-3-carboxylic acid
CID 63136057
4-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxylic acid
CID 63123862
1-[2-(dipropylamino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid
CID 63125080
3-methyl-1-[propyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63147172

Frequently Asked Questions

What is the IUPAC name of 1-(dipropylsulfamoyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(dipropylsulfamoyl)-3-methylpyrrolidine-3-carboxylic acid (CID 63149519) is 1-(dipropylsulfamoyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(dipropylsulfamoyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(dipropylsulfamoyl)-3-methylpyrrolidine-3-carboxylic acid is CCCN(CCC)S(=O)(=O)N1CCC(C)(C(=O)O)C1.
What is the InChIKey of 1-(dipropylsulfamoyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is JAFJHSPEMSAUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-4-7-13(8-5-2)19(17,18)14-9-6-12(3,10-14)11(15)16/h4-10H2,1-3H3,(H,15,16).
What are the key properties of 1-(dipropylsulfamoyl)-3-methylpyrrolidine-3-carboxylic acid?
1-(dipropylsulfamoyl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 292.40 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dipropylsulfamoyl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63149519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).