1-[[2-(propylsulfonylamino)propanoylamino]methyl]cyclopentane-1-carboxylic acid

C13H24N2O5S — CID 81367340

IUPAC1-[[2-(propylsulfonylamino)propanoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCCCS(=O)(=O)NC(C)C(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C13H24N2O5S/c1-3-8-21(19,20)15-10(2)11(16)14-9-13(12(17)18)6-4-5-7-13/h10,15H,3-9H2,1-2H3,(H,14,16)(H,17,18)
InChIKeySWHLJBODQRJVMO-UHFFFAOYSA-N
MW320.41 g/mol
LogP0.47
Rot. Bonds8

About 1-[[2-(propylsulfonylamino)propanoylamino]methyl]cyclopentane-1-carboxylic acid

1-[[2-(propylsulfonylamino)propanoylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 81367340) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-[[2-(propylsulfonylamino)propanoylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(propylsulfonylamino)propanoylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID81367340
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Name1-[[2-(propylsulfonylamino)propanoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCCCS(=O)(=O)NC(C)C(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C13H24N2O5S/c1-3-8-21(19,20)15-10(2)11(16)14-9-13(12(17)18)6-4-5-7-13/h10,15H,3-9H2,1-2H3,(H,14,16)(H,17,18)
InChIKeySWHLJBODQRJVMO-UHFFFAOYSA-N
XLogP0.47
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(propylsulfonylamino)propanoylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-(propylsulfonylamino)propanoylamino]methyl]cyclopentane-1-carboxylic acid (CID 81367340) is 1-[[2-(propylsulfonylamino)propanoylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(propylsulfonylamino)propanoylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(propylsulfonylamino)propanoylamino]methyl]cyclopentane-1-carboxylic acid is CCCS(=O)(=O)NC(C)C(=O)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[2-(propylsulfonylamino)propanoylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is SWHLJBODQRJVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5S/c1-3-8-21(19,20)15-10(2)11(16)14-9-13(12(17)18)6-4-5-7-13/h10,15H,3-9H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 1-[[2-(propylsulfonylamino)propanoylamino]methyl]cyclopentane-1-carboxylic acid?
1-[[2-(propylsulfonylamino)propanoylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 320.41 g/mol, XLogP of 0.47, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(propylsulfonylamino)propanoylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81367340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).