2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide

C9H17F3N2O2S — CID 60891145

IUPAC2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESO=S(=O)(CCC1CCNCC1)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)7-14-17(15,16)6-3-8-1-4-13-5-2-8/h8,13-14H,1-7H2
InChIKeyYZCTWYGFWWIUKL-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.86
Rot. Bonds5

About 2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide

2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide (PubChem CID 60891145) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
PubChem CID60891145
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC Name2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESO=S(=O)(CCC1CCNCC1)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)7-14-17(15,16)6-3-8-1-4-13-5-2-8/h8,13-14H,1-7H2
InChIKeyYZCTWYGFWWIUKL-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

{1-[1-(Ethanesulfonyl)piperidin-4-yl]ethyl}(methyl)amine
CID 63854893
2-(2-(Piperidin-4-yl)ethyl)-1lambda6,2-thiazolidine-1,1-dione hydrochloride
CID 20434917
(1-Trifluoromethanesulfonylpiperidin-4-yl)methanamine
CID 43605368
Piperidin-4-ylmethanesulfonamide hydrochloride
CID 50988745
Piperidin-4-ylmethanesulfonamide
CID 21328013
N-((piperidin-3-yl)methyl)propane-2-sulfonamide
CID 47002636
(1-Difluoromethanesulfonylpiperidin-4-yl)methanamine hydrochloride
CID 54592998
N-Methyl-1-(piperidin-4-yl)methanesulfonamide hydrochloride
CID 137703094
N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxetane-3-sulfonamide
CID 128067784
N-((1-methylpiperidin-4-yl)methyl)butane-1-sulfonamide
CID 45558322
{[1-(Cyclopropylsulfonyl)piperidin-4-yl]methyl}amine
CID 45496795
2-[(2,2,2-Trifluoroethyl)sulfonyl]-2,8-diazaspiro[4.5]decane
CID 56707132

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The IUPAC name of 2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide (CID 60891145) is 2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide.
What is the SMILES notation for 2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The canonical SMILES for 2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide is O=S(=O)(CCC1CCNCC1)NCC(F)(F)F.
What is the InChIKey of 2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The InChIKey is YZCTWYGFWWIUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c10-9(11,12)7-14-17(15,16)6-3-8-1-4-13-5-2-8/h8,13-14H,1-7H2.
What are the key properties of 2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide has a molecular weight of 274.31 g/mol, XLogP of 0.86, 5 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-(2,2,2-trifluoroethyl)ethanesulfonamide is sourced from PubChem (CID 60891145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).