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

C11H21F3N2O2S — CID 55009200

IUPACN-ethyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)CCC1CCNCC1
InChIInChI=1S/C11H21F3N2O2S/c1-2-16(9-11(12,13)14)19(17,18)8-5-10-3-6-15-7-4-10/h10,15H,2-9H2,1H3
InChIKeyDITKPONEFNDEIK-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.59
Rot. Bonds6

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

N-ethyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide (PubChem CID 55009200) has the molecular formula C11H21F3N2O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-ethyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
PubChem CID55009200
Molecular FormulaC11H21F3N2O2S
Molecular Weight302.36 g/mol
Exact Mass302.13
IUPAC NameN-ethyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)CCC1CCNCC1
InChIInChI=1S/C11H21F3N2O2S/c1-2-16(9-11(12,13)14)19(17,18)8-5-10-3-6-15-7-4-10/h10,15H,2-9H2,1H3
InChIKeyDITKPONEFNDEIK-UHFFFAOYSA-N
XLogP1.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

{1-[1-(Ethanesulfonyl)piperidin-4-yl]ethyl}(methyl)amine
CID 63854893
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-3-yl)methanesulfonamide hydrochloride
CID 126796285
N-Methyl-1-(piperidin-4-yl)methanesulfonamide hydrochloride
CID 137703094
{[1-(Cyclopropylsulfonyl)piperidin-4-yl]methyl}amine
CID 45496795
N-((1-isopropylpiperidin-4-yl)methyl)propane-1-sulfonamide
CID 45558506
2-[(2,2,2-Trifluoroethyl)sulfonyl]-2,8-diazaspiro[4.5]decane
CID 56707132
4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)butane-1-sulfonamide
CID 113902909
2-[1-(Trifluoromethylsulfonyl)piperidin-4-yl]ethanamine;hydrochloride
CID 17762144

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The IUPAC name of N-ethyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide (CID 55009200) is N-ethyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The canonical SMILES for N-ethyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide is CCN(CC(F)(F)F)S(=O)(=O)CCC1CCNCC1.
What is the InChIKey of N-ethyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The InChIKey is DITKPONEFNDEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2S/c1-2-16(9-11(12,13)14)19(17,18)8-5-10-3-6-15-7-4-10/h10,15H,2-9H2,1H3.
What are the key properties of N-ethyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
N-ethyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide is sourced from PubChem (CID 55009200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).