1-piperidin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide

C10H19F3N2O3S — CID 63827262

IUPAC1-piperidin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide
SMILESO=S(=O)(CC1CCCNC1)NCCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O3S/c11-10(12,13)8-18-5-4-15-19(16,17)7-9-2-1-3-14-6-9/h9,14-15H,1-8H2
InChIKeyXFQXHDPLXNVHFE-UHFFFAOYSA-N
MW304.33 g/mol
LogP0.48
Rot. Bonds7

About 1-piperidin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide

1-piperidin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide (PubChem CID 63827262) has the molecular formula C10H19F3N2O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is 1-piperidin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-piperidin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide
PubChem CID63827262
Molecular FormulaC10H19F3N2O3S
Molecular Weight304.33 g/mol
Exact Mass304.11
IUPAC Name1-piperidin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide
SMILESO=S(=O)(CC1CCCNC1)NCCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O3S/c11-10(12,13)8-18-5-4-15-19(16,17)7-9-2-1-3-14-6-9/h9,14-15H,1-8H2
InChIKeyXFQXHDPLXNVHFE-UHFFFAOYSA-N
XLogP0.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 50.48
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 1-piperidin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide?
The IUPAC name of 1-piperidin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide (CID 63827262) is 1-piperidin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide.
What is the SMILES notation for 1-piperidin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide?
The canonical SMILES for 1-piperidin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide is O=S(=O)(CC1CCCNC1)NCCOCC(F)(F)F.
What is the InChIKey of 1-piperidin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide?
The InChIKey is XFQXHDPLXNVHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O3S/c11-10(12,13)8-18-5-4-15-19(16,17)7-9-2-1-3-14-6-9/h9,14-15H,1-8H2.
What are the key properties of 1-piperidin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide?
1-piperidin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide has a molecular weight of 304.33 g/mol, XLogP of 0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide is sourced from PubChem (CID 63827262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).