4-(4-piperidin-1-ylsulfonylanilino)butanoic acid

C15H22N2O4S — CID 2829407

IUPAC4-(4-piperidin-1-ylsulfonylanilino)butanoic acid
SMILESO=C(O)CCCNc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H22N2O4S/c18-15(19)5-4-10-16-13-6-8-14(9-7-13)22(20,21)17-11-2-1-3-12-17/h6-9,16H,1-5,10-12H2,(H,18,19)
InChIKeyTVIFLAQFDYUBNG-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.14
Rot. Bonds7

About 4-(4-piperidin-1-ylsulfonylanilino)butanoic acid

4-(4-piperidin-1-ylsulfonylanilino)butanoic acid (PubChem CID 2829407) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-(4-piperidin-1-ylsulfonylanilino)butanoic acid.

Molecular Properties

Compound Name4-(4-piperidin-1-ylsulfonylanilino)butanoic acid
PubChem CID2829407
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name4-(4-piperidin-1-ylsulfonylanilino)butanoic acid
SMILESO=C(O)CCCNc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H22N2O4S/c18-15(19)5-4-10-16-13-6-8-14(9-7-13)22(20,21)17-11-2-1-3-12-17/h6-9,16H,1-5,10-12H2,(H,18,19)
InChIKeyTVIFLAQFDYUBNG-UHFFFAOYSA-N
XLogP2.14
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Sulfasuccinamide
CID 60582
1-{[4-(Acetylamino)phenyl]sulfonyl}piperidine-3-carboxylic acid
CID 2770164
1-((4-(Acetylamino)phenyl)sulfonyl)-2-piperidinecarboxylic acid
CID 2770165
Succinylsulfacetamide
CID 19656
2-(4-Acetamidobenzenesulfonamido)acetic acid
CID 271680
N-(4-piperidin-1-ylsulfonylphenyl)cyclopropanecarboxamide
CID 833152
2-(4-Acetylamino-benzenesulfonylamino)-butyric acid
CID 540360
1-(4-Acetylamino-benzenesulfonyl)-piperidine-4-carboxylic acid
CID 788623
N-{oxo[(4-sulfamoylphenyl)amino]acetyl}-beta-alanine
CID 1898408
N-(4-(1-Piperidinylsulfonyl)phenyl)acetamide
CID 79780
N-{4-[(2-methylpiperidin-1-yl)sulfonyl]phenyl}acetamide
CID 3277460
Methyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate
CID 650944

Frequently Asked Questions

What is the IUPAC name of 4-(4-piperidin-1-ylsulfonylanilino)butanoic acid?
The IUPAC name of 4-(4-piperidin-1-ylsulfonylanilino)butanoic acid (CID 2829407) is 4-(4-piperidin-1-ylsulfonylanilino)butanoic acid.
What is the SMILES notation for 4-(4-piperidin-1-ylsulfonylanilino)butanoic acid?
The canonical SMILES for 4-(4-piperidin-1-ylsulfonylanilino)butanoic acid is O=C(O)CCCNc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 4-(4-piperidin-1-ylsulfonylanilino)butanoic acid?
The InChIKey is TVIFLAQFDYUBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c18-15(19)5-4-10-16-13-6-8-14(9-7-13)22(20,21)17-11-2-1-3-12-17/h6-9,16H,1-5,10-12H2,(H,18,19).
What are the key properties of 4-(4-piperidin-1-ylsulfonylanilino)butanoic acid?
4-(4-piperidin-1-ylsulfonylanilino)butanoic acid has a molecular weight of 326.42 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-piperidin-1-ylsulfonylanilino)butanoic acid is sourced from PubChem (CID 2829407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).