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

C10H20N2O4S — CID 43172774

IUPAC3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]propanoic acid
SMILESCC1CC(C)CN(S(=O)(=O)NCCC(=O)O)C1
InChIInChI=1S/C10H20N2O4S/c1-8-5-9(2)7-12(6-8)17(15,16)11-4-3-10(13)14/h8-9,11H,3-7H2,1-2H3,(H,13,14)
InChIKeyYHZBMWFYUVFGJP-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.27
Rot. Bonds5

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

3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]propanoic acid (PubChem CID 43172774) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]propanoic acid
PubChem CID43172774
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]propanoic acid
SMILESCC1CC(C)CN(S(=O)(=O)NCCC(=O)O)C1
InChIInChI=1S/C10H20N2O4S/c1-8-5-9(2)7-12(6-8)17(15,16)11-4-3-10(13)14/h8-9,11H,3-7H2,1-2H3,(H,13,14)
InChIKeyYHZBMWFYUVFGJP-UHFFFAOYSA-N
XLogP0.27
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]propanoic 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 3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]propanoic acid?
The IUPAC name of 3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]propanoic acid (CID 43172774) is 3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]propanoic acid is CC1CC(C)CN(S(=O)(=O)NCCC(=O)O)C1.
What is the InChIKey of 3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]propanoic acid?
The InChIKey is YHZBMWFYUVFGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-8-5-9(2)7-12(6-8)17(15,16)11-4-3-10(13)14/h8-9,11H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]propanoic acid?
3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]propanoic acid has a molecular weight of 264.35 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 43172774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).