2-piperidin-4-yl-N-(3,3,3-trifluoropropyl)ethanesulfonamide

C10H19F3N2O2S — CID 63227888

IUPAC2-piperidin-4-yl-N-(3,3,3-trifluoropropyl)ethanesulfonamide
SMILESO=S(=O)(CCC1CCNCC1)NCCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2S/c11-10(12,13)4-7-15-18(16,17)8-3-9-1-5-14-6-2-9/h9,14-15H,1-8H2
InChIKeyQFGOCEDAQWDLAL-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.25
Rot. Bonds6

About 2-piperidin-4-yl-N-(3,3,3-trifluoropropyl)ethanesulfonamide

2-piperidin-4-yl-N-(3,3,3-trifluoropropyl)ethanesulfonamide (PubChem CID 63227888) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-piperidin-4-yl-N-(3,3,3-trifluoropropyl)ethanesulfonamide.

Molecular Properties

Compound Name2-piperidin-4-yl-N-(3,3,3-trifluoropropyl)ethanesulfonamide
PubChem CID63227888
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC Name2-piperidin-4-yl-N-(3,3,3-trifluoropropyl)ethanesulfonamide
SMILESO=S(=O)(CCC1CCNCC1)NCCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2S/c11-10(12,13)4-7-15-18(16,17)8-3-9-1-5-14-6-2-9/h9,14-15H,1-8H2
InChIKeyQFGOCEDAQWDLAL-UHFFFAOYSA-N
XLogP1.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-N-(3,3,3-trifluoropropyl)ethanesulfonamide?
The IUPAC name of 2-piperidin-4-yl-N-(3,3,3-trifluoropropyl)ethanesulfonamide (CID 63227888) is 2-piperidin-4-yl-N-(3,3,3-trifluoropropyl)ethanesulfonamide.
What is the SMILES notation for 2-piperidin-4-yl-N-(3,3,3-trifluoropropyl)ethanesulfonamide?
The canonical SMILES for 2-piperidin-4-yl-N-(3,3,3-trifluoropropyl)ethanesulfonamide is O=S(=O)(CCC1CCNCC1)NCCC(F)(F)F.
What is the InChIKey of 2-piperidin-4-yl-N-(3,3,3-trifluoropropyl)ethanesulfonamide?
The InChIKey is QFGOCEDAQWDLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c11-10(12,13)4-7-15-18(16,17)8-3-9-1-5-14-6-2-9/h9,14-15H,1-8H2.
What are the key properties of 2-piperidin-4-yl-N-(3,3,3-trifluoropropyl)ethanesulfonamide?
2-piperidin-4-yl-N-(3,3,3-trifluoropropyl)ethanesulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-N-(3,3,3-trifluoropropyl)ethanesulfonamide is sourced from PubChem (CID 63227888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).