4,4,4-trifluoro-N-(2-piperidin-4-yloxyethyl)butane-1-sulfonamide

C11H21F3N2O3S — CID 83058237

IUPAC4,4,4-trifluoro-N-(2-piperidin-4-yloxyethyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NCCOC1CCNCC1
InChIInChI=1S/C11H21F3N2O3S/c12-11(13,14)4-1-9-20(17,18)16-7-8-19-10-2-5-15-6-3-10/h10,15-16H,1-9H2
InChIKeyYOBKMLXTBWAOKO-UHFFFAOYSA-N
MW318.36 g/mol
LogP1.02
Rot. Bonds8

About 4,4,4-trifluoro-N-(2-piperidin-4-yloxyethyl)butane-1-sulfonamide

4,4,4-trifluoro-N-(2-piperidin-4-yloxyethyl)butane-1-sulfonamide (PubChem CID 83058237) has the molecular formula C11H21F3N2O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(2-piperidin-4-yloxyethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(2-piperidin-4-yloxyethyl)butane-1-sulfonamide
PubChem CID83058237
Molecular FormulaC11H21F3N2O3S
Molecular Weight318.36 g/mol
Exact Mass318.12
IUPAC Name4,4,4-trifluoro-N-(2-piperidin-4-yloxyethyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NCCOC1CCNCC1
InChIInChI=1S/C11H21F3N2O3S/c12-11(13,14)4-1-9-20(17,18)16-7-8-19-10-2-5-15-6-3-10/h10,15-16H,1-9H2
InChIKeyYOBKMLXTBWAOKO-UHFFFAOYSA-N
XLogP1.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.02
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-(2-piperidin-4-yloxyethyl)butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-(2-piperidin-4-yloxyethyl)butane-1-sulfonamide (CID 83058237) is 4,4,4-trifluoro-N-(2-piperidin-4-yloxyethyl)butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(2-piperidin-4-yloxyethyl)butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-(2-piperidin-4-yloxyethyl)butane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)NCCOC1CCNCC1.
What is the InChIKey of 4,4,4-trifluoro-N-(2-piperidin-4-yloxyethyl)butane-1-sulfonamide?
The InChIKey is YOBKMLXTBWAOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O3S/c12-11(13,14)4-1-9-20(17,18)16-7-8-19-10-2-5-15-6-3-10/h10,15-16H,1-9H2.
What are the key properties of 4,4,4-trifluoro-N-(2-piperidin-4-yloxyethyl)butane-1-sulfonamide?
4,4,4-trifluoro-N-(2-piperidin-4-yloxyethyl)butane-1-sulfonamide has a molecular weight of 318.36 g/mol, XLogP of 1.02, 8 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-(2-piperidin-4-yloxyethyl)butane-1-sulfonamide is sourced from PubChem (CID 83058237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).