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

C11H21F3N2O3S — CID 63245729

IUPAC2-ethoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCCOCCS(=O)(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H21F3N2O3S/c1-2-19-7-8-20(17,18)16(9-11(12,13)14)10-3-5-15-6-4-10/h10,15H,2-9H2,1H3
InChIKeyADWSMSUUOYLAJU-UHFFFAOYSA-N
MW318.36 g/mol
LogP0.97
Rot. Bonds7

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

2-ethoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide (PubChem CID 63245729) has the molecular formula C11H21F3N2O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is 2-ethoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
PubChem CID63245729
Molecular FormulaC11H21F3N2O3S
Molecular Weight318.36 g/mol
Exact Mass318.12
IUPAC Name2-ethoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCCOCCS(=O)(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H21F3N2O3S/c1-2-19-7-8-20(17,18)16(9-11(12,13)14)10-3-5-15-6-4-10/h10,15H,2-9H2,1H3
InChIKeyADWSMSUUOYLAJU-UHFFFAOYSA-N
XLogP0.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)butane-1-sulfonamide
CID 113902909
2-Amino-ethanesulfonic acid (1-isopropyl-piperidin-4-yl)-(2,2,2-trifluoro-ethyl)-amide
CID 66625054
1-(2,2-Difluoropropylsulfonyl)piperidin-4-amine
CID 155399108
1-butylsulfonyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 178423818
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 43602821
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide
CID 43602822
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 43602823
2-[[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide
CID 43777379
N-methyl-1-piperidin-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 54974278
N-ethyl-2-piperidin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 55009154
1-piperidin-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 55009600
2-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 55009641

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The IUPAC name of 2-ethoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide (CID 63245729) is 2-ethoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide.
What is the SMILES notation for 2-ethoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The canonical SMILES for 2-ethoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide is CCOCCS(=O)(=O)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of 2-ethoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The InChIKey is ADWSMSUUOYLAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O3S/c1-2-19-7-8-20(17,18)16(9-11(12,13)14)10-3-5-15-6-4-10/h10,15H,2-9H2,1H3.
What are the key properties of 2-ethoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
2-ethoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide has a molecular weight of 318.36 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide is sourced from PubChem (CID 63245729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).