N-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]ethanesulfonamide

C11H20F3N3O3S — CID 78958031

IUPACN-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3O3S/c1-2-21(19,20)16-9-3-5-17(6-4-9)10(18)7-15-8-11(12,13)14/h9,15-16H,2-8H2,1H3
InChIKeyMHTQDJZUBDMDDZ-UHFFFAOYSA-N
MW331.36 g/mol
LogP0.07
Rot. Bonds6

About N-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]ethanesulfonamide

N-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]ethanesulfonamide (PubChem CID 78958031) has the molecular formula C11H20F3N3O3S and a molecular weight of 331.36 g/mol. Its IUPAC name is N-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]ethanesulfonamide
PubChem CID78958031
Molecular FormulaC11H20F3N3O3S
Molecular Weight331.36 g/mol
Exact Mass331.12
IUPAC NameN-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3O3S/c1-2-21(19,20)16-9-3-5-17(6-4-9)10(18)7-15-8-11(12,13)14/h9,15-16H,2-8H2,1H3
InChIKeyMHTQDJZUBDMDDZ-UHFFFAOYSA-N
XLogP0.07
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-oxopentanoyl)piperidin-4-yl]ethanesulfonamide
CID 65415873
methyl 4-[4-(ethylsulfonylamino)piperidin-1-yl]-4-oxobutanoate
CID 110819833
N-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]ethanesulfonamide
CID 64610162
N-[1-(2-ethylbutanoyl)piperidin-4-yl]ethanesulfonamide
CID 110820083
N-[1-(2-bromopropanoyl)piperidin-4-yl]ethanesulfonamide
CID 107904557
1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28595912
methyl 4-(ethylsulfonylamino)piperidine-1-carboxylate
CID 47351547
1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 78958133
4-[4-(ethylsulfonylamino)piperidin-1-yl]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992611
N-[1-(2-chloropropanoyl)piperidin-4-yl]ethanesulfonamide
CID 54875918
N-(1-pentanoylpiperidin-4-yl)propane-1-sulfonamide
CID 110819565
1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28596000

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]ethanesulfonamide (CID 78958031) is N-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]ethanesulfonamide is CCS(=O)(=O)NC1CCN(C(=O)CNCC(F)(F)F)CC1.
What is the InChIKey of N-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]ethanesulfonamide?
The InChIKey is MHTQDJZUBDMDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O3S/c1-2-21(19,20)16-9-3-5-17(6-4-9)10(18)7-15-8-11(12,13)14/h9,15-16H,2-8H2,1H3.
What are the key properties of N-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]ethanesulfonamide?
N-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]ethanesulfonamide has a molecular weight of 331.36 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 78958031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).