2-[2-(propylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid

C13H24N2O5S — CID 64814769

IUPAC2-[2-(propylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid
SMILESCCCS(=O)(=O)NC(C)C(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C13H24N2O5S/c1-3-8-21(19,20)15-9(2)12(16)14-11-7-5-4-6-10(11)13(17)18/h9-11,15H,3-8H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyMXEUEAJHQVDTKT-UHFFFAOYSA-N
MW320.41 g/mol
LogP0.46
Rot. Bonds7

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

2-[2-(propylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid (PubChem CID 64814769) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-[2-(propylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(propylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid
PubChem CID64814769
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Name2-[2-(propylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid
SMILESCCCS(=O)(=O)NC(C)C(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C13H24N2O5S/c1-3-8-21(19,20)15-9(2)12(16)14-11-7-5-4-6-10(11)13(17)18/h9-11,15H,3-8H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyMXEUEAJHQVDTKT-UHFFFAOYSA-N
XLogP0.46
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyloxy-2-(propylsulfonylamino)propanamide
CID 83206638
1-methyl-2-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid
CID 82765524
2-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid
CID 64816256
2-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 64812498
2-(butan-2-ylamino)cyclohexane-1-carboxylic acid
CID 79694697
2-(2-ethylhexanoylamino)cyclohexane-1-carboxylic acid
CID 64814795
2-[2-(aminomethyl)pentanoylamino]cyclohexane-1-carboxylic acid
CID 65228027
2-cyclopropyl-2-[2-(propylsulfonylamino)propanoylamino]acetic acid
CID 62697454
1-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid
CID 43360267
2-(2-aminohexanoylamino)cyclohexane-1-carboxylic acid
CID 64817389
2-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 103869669
(2S)-2-(propylsulfonylamino)propanoic acid
CID 7130952

Frequently Asked Questions

What is the IUPAC name of 2-[2-(propylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[2-(propylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid (CID 64814769) is 2-[2-(propylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(propylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[2-(propylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid is CCCS(=O)(=O)NC(C)C(=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-[2-(propylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is MXEUEAJHQVDTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5S/c1-3-8-21(19,20)15-9(2)12(16)14-11-7-5-4-6-10(11)13(17)18/h9-11,15H,3-8H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-[2-(propylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid?
2-[2-(propylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 320.41 g/mol, XLogP of 0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(propylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64814769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).