4-piperidin-1-ylsulfonylbutanoic acid

C9H17NO4S — CID 28513446

IUPAC4-piperidin-1-ylsulfonylbutanoic acid
SMILESO=C(O)CCCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C9H17NO4S/c11-9(12)5-4-8-15(13,14)10-6-2-1-3-7-10/h1-8H2,(H,11,12)
InChIKeyIDHGRFNQKDBWIU-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.67
Rot. Bonds5

About 4-piperidin-1-ylsulfonylbutanoic acid

4-piperidin-1-ylsulfonylbutanoic acid (PubChem CID 28513446) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 4-piperidin-1-ylsulfonylbutanoic acid.

Molecular Properties

Compound Name4-piperidin-1-ylsulfonylbutanoic acid
PubChem CID28513446
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name4-piperidin-1-ylsulfonylbutanoic acid
SMILESO=C(O)CCCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C9H17NO4S/c11-9(12)5-4-8-15(13,14)10-6-2-1-3-7-10/h1-8H2,(H,11,12)
InChIKeyIDHGRFNQKDBWIU-UHFFFAOYSA-N
XLogP0.67
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylsulfonylbutanoic acid?
The IUPAC name of 4-piperidin-1-ylsulfonylbutanoic acid (CID 28513446) is 4-piperidin-1-ylsulfonylbutanoic acid.
What is the SMILES notation for 4-piperidin-1-ylsulfonylbutanoic acid?
The canonical SMILES for 4-piperidin-1-ylsulfonylbutanoic acid is O=C(O)CCCS(=O)(=O)N1CCCCC1.
What is the InChIKey of 4-piperidin-1-ylsulfonylbutanoic acid?
The InChIKey is IDHGRFNQKDBWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c11-9(12)5-4-8-15(13,14)10-6-2-1-3-7-10/h1-8H2,(H,11,12).
What are the key properties of 4-piperidin-1-ylsulfonylbutanoic acid?
4-piperidin-1-ylsulfonylbutanoic acid has a molecular weight of 235.30 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylsulfonylbutanoic acid is sourced from PubChem (CID 28513446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).