1-[methyl(propan-2-yl)sulfamoyl]-3-propylpyrrolidine-3-carboxylic acid

C12H24N2O4S — CID 55165192

IUPAC1-[methyl(propan-2-yl)sulfamoyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(S(=O)(=O)N(C)C(C)C)C1
InChIInChI=1S/C12H24N2O4S/c1-5-6-12(11(15)16)7-8-14(9-12)19(17,18)13(4)10(2)3/h10H,5-9H2,1-4H3,(H,15,16)
InChIKeyHCHRTFVMFYIPMC-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.15
Rot. Bonds6

About 1-[methyl(propan-2-yl)sulfamoyl]-3-propylpyrrolidine-3-carboxylic acid

1-[methyl(propan-2-yl)sulfamoyl]-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 55165192) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-[methyl(propan-2-yl)sulfamoyl]-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(propan-2-yl)sulfamoyl]-3-propylpyrrolidine-3-carboxylic acid
PubChem CID55165192
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name1-[methyl(propan-2-yl)sulfamoyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(S(=O)(=O)N(C)C(C)C)C1
InChIInChI=1S/C12H24N2O4S/c1-5-6-12(11(15)16)7-8-14(9-12)19(17,18)13(4)10(2)3/h10H,5-9H2,1-4H3,(H,15,16)
InChIKeyHCHRTFVMFYIPMC-UHFFFAOYSA-N
XLogP1.15
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl(propan-2-yl)sulfamoyl]-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[methyl(propan-2-yl)sulfamoyl]-3-propylpyrrolidine-3-carboxylic acid (CID 55165192) is 1-[methyl(propan-2-yl)sulfamoyl]-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[methyl(propan-2-yl)sulfamoyl]-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[methyl(propan-2-yl)sulfamoyl]-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(S(=O)(=O)N(C)C(C)C)C1.
What is the InChIKey of 1-[methyl(propan-2-yl)sulfamoyl]-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is HCHRTFVMFYIPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-5-6-12(11(15)16)7-8-14(9-12)19(17,18)13(4)10(2)3/h10H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 1-[methyl(propan-2-yl)sulfamoyl]-3-propylpyrrolidine-3-carboxylic acid?
1-[methyl(propan-2-yl)sulfamoyl]-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 292.40 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(propan-2-yl)sulfamoyl]-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55165192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).