2-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide

C11H21F3N2O3S — CID 63826565

IUPAC2-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide
SMILESO=S(=O)(CCC1CCNCC1)NCCOCC(F)(F)F
InChIInChI=1S/C11H21F3N2O3S/c12-11(13,14)9-19-7-6-16-20(17,18)8-3-10-1-4-15-5-2-10/h10,15-16H,1-9H2
InChIKeyDJDJRQRGFVPQEC-UHFFFAOYSA-N
MW318.36 g/mol
LogP0.87
Rot. Bonds8

About 2-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide

2-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide (PubChem CID 63826565) has the molecular formula C11H21F3N2O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is 2-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide
PubChem CID63826565
Molecular FormulaC11H21F3N2O3S
Molecular Weight318.36 g/mol
Exact Mass318.12
IUPAC Name2-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide
SMILESO=S(=O)(CCC1CCNCC1)NCCOCC(F)(F)F
InChIInChI=1S/C11H21F3N2O3S/c12-11(13,14)9-19-7-6-16-20(17,18)8-3-10-1-4-15-5-2-10/h10,15-16H,1-9H2
InChIKeyDJDJRQRGFVPQEC-UHFFFAOYSA-N
XLogP0.87
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 ≤ 50.87
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-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide?
The IUPAC name of 2-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide (CID 63826565) is 2-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide?
The canonical SMILES for 2-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide is O=S(=O)(CCC1CCNCC1)NCCOCC(F)(F)F.
What is the InChIKey of 2-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide?
The InChIKey is DJDJRQRGFVPQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O3S/c12-11(13,14)9-19-7-6-16-20(17,18)8-3-10-1-4-15-5-2-10/h10,15-16H,1-9H2.
What are the key properties of 2-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide?
2-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide has a molecular weight of 318.36 g/mol, XLogP of 0.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide is sourced from PubChem (CID 63826565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).