2-piperidin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide

C9H17F3N2O2S — CID 60864187

IUPAC2-piperidin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESO=S(=O)(CCC1CCCCN1)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)7-14-17(15,16)6-4-8-3-1-2-5-13-8/h8,13-14H,1-7H2
InChIKeyKMBRSWKIWQOVRZ-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.00
Rot. Bonds5

About 2-piperidin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide

2-piperidin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide (PubChem CID 60864187) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-piperidin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-piperidin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
PubChem CID60864187
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC Name2-piperidin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESO=S(=O)(CCC1CCCCN1)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)7-14-17(15,16)6-4-8-3-1-2-5-13-8/h8,13-14H,1-7H2
InChIKeyKMBRSWKIWQOVRZ-UHFFFAOYSA-N
XLogP1.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The IUPAC name of 2-piperidin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide (CID 60864187) is 2-piperidin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide.
What is the SMILES notation for 2-piperidin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The canonical SMILES for 2-piperidin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide is O=S(=O)(CCC1CCCCN1)NCC(F)(F)F.
What is the InChIKey of 2-piperidin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The InChIKey is KMBRSWKIWQOVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c10-9(11,12)7-14-17(15,16)6-4-8-3-1-2-5-13-8/h8,13-14H,1-7H2.
What are the key properties of 2-piperidin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
2-piperidin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide has a molecular weight of 274.31 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide is sourced from PubChem (CID 60864187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).