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

C11H21F3N2O2S — CID 83058769

IUPAC4,4,4-trifluoro-N-(1-piperidin-3-ylethyl)butane-1-sulfonamide
SMILESCC(NS(=O)(=O)CCCC(F)(F)F)C1CCCNC1
InChIInChI=1S/C11H21F3N2O2S/c1-9(10-4-2-6-15-8-10)16-19(17,18)7-3-5-11(12,13)14/h9-10,15-16H,2-8H2,1H3
InChIKeyZPHAFGHWBRRZBP-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.64
Rot. Bonds6

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

4,4,4-trifluoro-N-(1-piperidin-3-ylethyl)butane-1-sulfonamide (PubChem CID 83058769) has the molecular formula C11H21F3N2O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(1-piperidin-3-ylethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(1-piperidin-3-ylethyl)butane-1-sulfonamide
PubChem CID83058769
Molecular FormulaC11H21F3N2O2S
Molecular Weight302.36 g/mol
Exact Mass302.13
IUPAC Name4,4,4-trifluoro-N-(1-piperidin-3-ylethyl)butane-1-sulfonamide
SMILESCC(NS(=O)(=O)CCCC(F)(F)F)C1CCCNC1
InChIInChI=1S/C11H21F3N2O2S/c1-9(10-4-2-6-15-8-10)16-19(17,18)7-3-5-11(12,13)14/h9-10,15-16H,2-8H2,1H3
InChIKeyZPHAFGHWBRRZBP-UHFFFAOYSA-N
XLogP1.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4,4,4-trifluoro-N-(1-piperidin-3-ylethyl)butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(1-piperidin-3-ylethyl)butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-(1-piperidin-3-ylethyl)butane-1-sulfonamide (CID 83058769) is 4,4,4-trifluoro-N-(1-piperidin-3-ylethyl)butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(1-piperidin-3-ylethyl)butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-(1-piperidin-3-ylethyl)butane-1-sulfonamide is CC(NS(=O)(=O)CCCC(F)(F)F)C1CCCNC1.
What is the InChIKey of 4,4,4-trifluoro-N-(1-piperidin-3-ylethyl)butane-1-sulfonamide?
The InChIKey is ZPHAFGHWBRRZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2S/c1-9(10-4-2-6-15-8-10)16-19(17,18)7-3-5-11(12,13)14/h9-10,15-16H,2-8H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-(1-piperidin-3-ylethyl)butane-1-sulfonamide?
4,4,4-trifluoro-N-(1-piperidin-3-ylethyl)butane-1-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(1-piperidin-3-ylethyl)butane-1-sulfonamide is sourced from PubChem (CID 83058769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).