3-(piperidin-1-ylsulfonylamino)propanoic acid

C8H16N2O4S — CID 28783567

IUPAC3-(piperidin-1-ylsulfonylamino)propanoic acid
SMILESO=C(O)CCNS(=O)(=O)N1CCCCC1
InChIInChI=1S/C8H16N2O4S/c11-8(12)4-5-9-15(13,14)10-6-2-1-3-7-10/h9H,1-7H2,(H,11,12)
InChIKeyXKUTYNQJJDQSFJ-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.22
Rot. Bonds5

About 3-(piperidin-1-ylsulfonylamino)propanoic acid

3-(piperidin-1-ylsulfonylamino)propanoic acid (PubChem CID 28783567) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-(piperidin-1-ylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name3-(piperidin-1-ylsulfonylamino)propanoic acid
PubChem CID28783567
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name3-(piperidin-1-ylsulfonylamino)propanoic acid
SMILESO=C(O)CCNS(=O)(=O)N1CCCCC1
InChIInChI=1S/C8H16N2O4S/c11-8(12)4-5-9-15(13,14)10-6-2-1-3-7-10/h9H,1-7H2,(H,11,12)
InChIKeyXKUTYNQJJDQSFJ-UHFFFAOYSA-N
XLogP-0.22
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-1-ylsulfonylamino)propanoic acid?
The IUPAC name of 3-(piperidin-1-ylsulfonylamino)propanoic acid (CID 28783567) is 3-(piperidin-1-ylsulfonylamino)propanoic acid.
What is the SMILES notation for 3-(piperidin-1-ylsulfonylamino)propanoic acid?
The canonical SMILES for 3-(piperidin-1-ylsulfonylamino)propanoic acid is O=C(O)CCNS(=O)(=O)N1CCCCC1.
What is the InChIKey of 3-(piperidin-1-ylsulfonylamino)propanoic acid?
The InChIKey is XKUTYNQJJDQSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c11-8(12)4-5-9-15(13,14)10-6-2-1-3-7-10/h9H,1-7H2,(H,11,12).
What are the key properties of 3-(piperidin-1-ylsulfonylamino)propanoic acid?
3-(piperidin-1-ylsulfonylamino)propanoic acid has a molecular weight of 236.29 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-1-ylsulfonylamino)propanoic acid is sourced from PubChem (CID 28783567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).