2-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide

C10H19F3N2O3S — CID 82817082

IUPAC2-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide
SMILESCCOCCS(=O)(=O)NC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C10H19F3N2O3S/c1-2-18-5-6-19(16,17)15-8-3-4-9(14-7-8)10(11,12)13/h8-9,14-15H,2-7H2,1H3
InChIKeyJMDWQPYJPPQXBM-UHFFFAOYSA-N
MW304.33 g/mol
LogP0.63
Rot. Bonds6

About 2-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide

2-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide (PubChem CID 82817082) has the molecular formula C10H19F3N2O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is 2-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide
PubChem CID82817082
Molecular FormulaC10H19F3N2O3S
Molecular Weight304.33 g/mol
Exact Mass304.11
IUPAC Name2-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide
SMILESCCOCCS(=O)(=O)NC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C10H19F3N2O3S/c1-2-18-5-6-19(16,17)15-8-3-4-9(14-7-8)10(11,12)13/h8-9,14-15H,2-7H2,1H3
InChIKeyJMDWQPYJPPQXBM-UHFFFAOYSA-N
XLogP0.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 50.63
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 2-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide?
The IUPAC name of 2-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide (CID 82817082) is 2-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide.
What is the SMILES notation for 2-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide?
The canonical SMILES for 2-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide is CCOCCS(=O)(=O)NC1CCC(C(F)(F)F)NC1.
What is the InChIKey of 2-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide?
The InChIKey is JMDWQPYJPPQXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O3S/c1-2-18-5-6-19(16,17)15-8-3-4-9(14-7-8)10(11,12)13/h8-9,14-15H,2-7H2,1H3.
What are the key properties of 2-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide?
2-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide has a molecular weight of 304.33 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide is sourced from PubChem (CID 82817082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).