5-piperidin-1-ylsulfonylpentanoic acid

C10H19NO4S — CID 28704897

IUPAC5-piperidin-1-ylsulfonylpentanoic acid
SMILESO=C(O)CCCCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C10H19NO4S/c12-10(13)6-2-5-9-16(14,15)11-7-3-1-4-8-11/h1-9H2,(H,12,13)
InChIKeyLAEOLXHANVKRGY-UHFFFAOYSA-N
MW249.33 g/mol
LogP1.06
Rot. Bonds6

About 5-piperidin-1-ylsulfonylpentanoic acid

5-piperidin-1-ylsulfonylpentanoic acid (PubChem CID 28704897) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 5-piperidin-1-ylsulfonylpentanoic acid.

Molecular Properties

Compound Name5-piperidin-1-ylsulfonylpentanoic acid
PubChem CID28704897
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name5-piperidin-1-ylsulfonylpentanoic acid
SMILESO=C(O)CCCCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C10H19NO4S/c12-10(13)6-2-5-9-16(14,15)11-7-3-1-4-8-11/h1-9H2,(H,12,13)
InChIKeyLAEOLXHANVKRGY-UHFFFAOYSA-N
XLogP1.06
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-ylsulfonylpentanoic acid?
The IUPAC name of 5-piperidin-1-ylsulfonylpentanoic acid (CID 28704897) is 5-piperidin-1-ylsulfonylpentanoic acid.
What is the SMILES notation for 5-piperidin-1-ylsulfonylpentanoic acid?
The canonical SMILES for 5-piperidin-1-ylsulfonylpentanoic acid is O=C(O)CCCCS(=O)(=O)N1CCCCC1.
What is the InChIKey of 5-piperidin-1-ylsulfonylpentanoic acid?
The InChIKey is LAEOLXHANVKRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c12-10(13)6-2-5-9-16(14,15)11-7-3-1-4-8-11/h1-9H2,(H,12,13).
What are the key properties of 5-piperidin-1-ylsulfonylpentanoic acid?
5-piperidin-1-ylsulfonylpentanoic acid has a molecular weight of 249.33 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-ylsulfonylpentanoic acid is sourced from PubChem (CID 28704897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).