2-piperidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide

C10H19F3N2O2S2 — CID 106430261

IUPAC2-piperidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide
SMILESO=S(=O)(CCC1CCCCN1)NCCSC(F)(F)F
InChIInChI=1S/C10H19F3N2O2S2/c11-10(12,13)18-7-6-15-19(16,17)8-4-9-3-1-2-5-14-9/h9,14-15H,1-8H2
InChIKeyKPUUULPBHJDBRN-UHFFFAOYSA-N
MW320.40 g/mol
LogP1.69
Rot. Bonds7

About 2-piperidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide

2-piperidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide (PubChem CID 106430261) has the molecular formula C10H19F3N2O2S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-piperidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-piperidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide
PubChem CID106430261
Molecular FormulaC10H19F3N2O2S2
Molecular Weight320.40 g/mol
Exact Mass320.08
IUPAC Name2-piperidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide
SMILESO=S(=O)(CCC1CCCCN1)NCCSC(F)(F)F
InChIInChI=1S/C10H19F3N2O2S2/c11-10(12,13)18-7-6-15-19(16,17)8-4-9-3-1-2-5-14-9/h9,14-15H,1-8H2
InChIKeyKPUUULPBHJDBRN-UHFFFAOYSA-N
XLogP1.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-piperidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide 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 2-piperidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide?
The IUPAC name of 2-piperidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide (CID 106430261) is 2-piperidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-piperidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-piperidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide is O=S(=O)(CCC1CCCCN1)NCCSC(F)(F)F.
What is the InChIKey of 2-piperidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide?
The InChIKey is KPUUULPBHJDBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S2/c11-10(12,13)18-7-6-15-19(16,17)8-4-9-3-1-2-5-14-9/h9,14-15H,1-8H2.
What are the key properties of 2-piperidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide?
2-piperidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide has a molecular weight of 320.40 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 106430261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).