4-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]butanoic acid

C11H22N2O4S — CID 43172783

IUPAC4-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]butanoic acid
SMILESCC1CC(C)CN(S(=O)(=O)NCCCC(=O)O)C1
InChIInChI=1S/C11H22N2O4S/c1-9-6-10(2)8-13(7-9)18(16,17)12-5-3-4-11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyIHPFTQMEEOEFQT-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.66
Rot. Bonds6

About 4-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]butanoic acid

4-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]butanoic acid (PubChem CID 43172783) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 4-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name4-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]butanoic acid
PubChem CID43172783
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name4-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]butanoic acid
SMILESCC1CC(C)CN(S(=O)(=O)NCCCC(=O)O)C1
InChIInChI=1S/C11H22N2O4S/c1-9-6-10(2)8-13(7-9)18(16,17)12-5-3-4-11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyIHPFTQMEEOEFQT-UHFFFAOYSA-N
XLogP0.66
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]butanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]butanoic acid?
The IUPAC name of 4-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]butanoic acid (CID 43172783) is 4-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for 4-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]butanoic acid?
The canonical SMILES for 4-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]butanoic acid is CC1CC(C)CN(S(=O)(=O)NCCCC(=O)O)C1.
What is the InChIKey of 4-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]butanoic acid?
The InChIKey is IHPFTQMEEOEFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-9-6-10(2)8-13(7-9)18(16,17)12-5-3-4-11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 4-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]butanoic acid?
4-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]butanoic acid has a molecular weight of 278.37 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 43172783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).