4,4,4-trifluoro-N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide

C12H23F3N2O3S — CID 83047276

IUPAC4,4,4-trifluoro-N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NCCCOC1CCNCC1
InChIInChI=1S/C12H23F3N2O3S/c13-12(14,15)5-1-10-21(18,19)17-6-2-9-20-11-3-7-16-8-4-11/h11,16-17H,1-10H2
InChIKeyCSAJECJUDCCEIA-UHFFFAOYSA-N
MW332.39 g/mol
LogP1.41
Rot. Bonds9

About 4,4,4-trifluoro-N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide

4,4,4-trifluoro-N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide (PubChem CID 83047276) has the molecular formula C12H23F3N2O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide
PubChem CID83047276
Molecular FormulaC12H23F3N2O3S
Molecular Weight332.39 g/mol
Exact Mass332.14
IUPAC Name4,4,4-trifluoro-N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NCCCOC1CCNCC1
InChIInChI=1S/C12H23F3N2O3S/c13-12(14,15)5-1-10-21(18,19)17-6-2-9-20-11-3-7-16-8-4-11/h11,16-17H,1-10H2
InChIKeyCSAJECJUDCCEIA-UHFFFAOYSA-N
XLogP1.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.41
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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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide (CID 83047276) is 4,4,4-trifluoro-N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)NCCCOC1CCNCC1.
What is the InChIKey of 4,4,4-trifluoro-N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide?
The InChIKey is CSAJECJUDCCEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O3S/c13-12(14,15)5-1-10-21(18,19)17-6-2-9-20-11-3-7-16-8-4-11/h11,16-17H,1-10H2.
What are the key properties of 4,4,4-trifluoro-N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide?
4,4,4-trifluoro-N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide has a molecular weight of 332.39 g/mol, XLogP of 1.41, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide is sourced from PubChem (CID 83047276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).