2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide

C9H18F3N3O2S — CID 43777379

IUPAC2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H18F3N3O2S/c10-9(11,12)7-15-4-1-8(2-5-15)14-3-6-18(13,16)17/h8,14H,1-7H2,(H2,13,16,17)
InChIKeyKXWCQLLWCONMLF-UHFFFAOYSA-N
MW289.32 g/mol
LogP-0.11
Rot. Bonds5

About 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide

2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide (PubChem CID 43777379) has the molecular formula C9H18F3N3O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide
PubChem CID43777379
Molecular FormulaC9H18F3N3O2S
Molecular Weight289.32 g/mol
Exact Mass289.11
IUPAC Name2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H18F3N3O2S/c10-9(11,12)7-15-4-1-8(2-5-15)14-3-6-18(13,16)17/h8,14H,1-7H2,(H2,13,16,17)
InChIKeyKXWCQLLWCONMLF-UHFFFAOYSA-N
XLogP-0.11
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide?
The IUPAC name of 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide (CID 43777379) is 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide.
What is the SMILES notation for 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide?
The canonical SMILES for 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide is NS(=O)(=O)CCNC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide?
The InChIKey is KXWCQLLWCONMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O2S/c10-9(11,12)7-15-4-1-8(2-5-15)14-3-6-18(13,16)17/h8,14H,1-7H2,(H2,13,16,17).
What are the key properties of 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide?
2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide has a molecular weight of 289.32 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide is sourced from PubChem (CID 43777379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).