2-[4-(2,2,2-trifluoroethylsulfamoylamino)piperidin-1-yl]ethanethioamide

C9H17F3N4O2S2 — CID 114808398

IUPAC2-[4-(2,2,2-trifluoroethylsulfamoylamino)piperidin-1-yl]ethanethioamide
SMILESNC(=S)CN1CCC(NS(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N4O2S2/c10-9(11,12)6-14-20(17,18)15-7-1-3-16(4-2-7)5-8(13)19/h7,14-15H,1-6H2,(H2,13,19)
InChIKeyQMHUOGOIYCJCPI-UHFFFAOYSA-N
MW334.39 g/mol
LogP-0.28
Rot. Bonds6

About 2-[4-(2,2,2-trifluoroethylsulfamoylamino)piperidin-1-yl]ethanethioamide

2-[4-(2,2,2-trifluoroethylsulfamoylamino)piperidin-1-yl]ethanethioamide (PubChem CID 114808398) has the molecular formula C9H17F3N4O2S2 and a molecular weight of 334.39 g/mol. Its IUPAC name is 2-[4-(2,2,2-trifluoroethylsulfamoylamino)piperidin-1-yl]ethanethioamide.

Molecular Properties

Compound Name2-[4-(2,2,2-trifluoroethylsulfamoylamino)piperidin-1-yl]ethanethioamide
PubChem CID114808398
Molecular FormulaC9H17F3N4O2S2
Molecular Weight334.39 g/mol
Exact Mass334.07
IUPAC Name2-[4-(2,2,2-trifluoroethylsulfamoylamino)piperidin-1-yl]ethanethioamide
SMILESNC(=S)CN1CCC(NS(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N4O2S2/c10-9(11,12)6-14-20(17,18)15-7-1-3-16(4-2-7)5-8(13)19/h7,14-15H,1-6H2,(H2,13,19)
InChIKeyQMHUOGOIYCJCPI-UHFFFAOYSA-N
XLogP-0.28
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(2,2,2-trifluoroethylsulfamoylamino)piperidin-1-yl]ethanethioamide 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

2-[4-(Difluoromethylsulfonyl)piperazin-1-yl]pentanethioamide
CID 63341908
2-[4-(Difluoromethylsulfonylamino)piperidin-1-yl]ethanethioamide
CID 63626102
N-[1-(2-aminoethyl)piperidin-4-yl]-1,1-difluoromethanesulfonamide
CID 63631841
2-[4-(4,4,4-Trifluorobutylsulfonylamino)piperidin-1-yl]ethanethioamide
CID 83048570
1-(2,2,2-Trifluoroethylsulfamoyl)piperidine-2-carbothioamide
CID 113637110
4-(1-aminopentan-3-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 114803556
4-(1-aminopentan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 114804015
1-(2-aminoethyl)-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine
CID 114804031
1-Methyl-4-(2,2,2-trifluoroethylsulfamoylamino)piperidine-4-carbothioamide
CID 114808187
2-[4-(2,2,2-Trifluoroethylsulfamoyl)piperazin-1-yl]propanethioamide
CID 114808368
2-[4-(2,2,2-Trifluoroethylsulfamoyl)piperazin-1-yl]butanethioamide
CID 114808374
2-[Cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanethioamide
CID 114808447

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2,2-trifluoroethylsulfamoylamino)piperidin-1-yl]ethanethioamide?
The IUPAC name of 2-[4-(2,2,2-trifluoroethylsulfamoylamino)piperidin-1-yl]ethanethioamide (CID 114808398) is 2-[4-(2,2,2-trifluoroethylsulfamoylamino)piperidin-1-yl]ethanethioamide.
What is the SMILES notation for 2-[4-(2,2,2-trifluoroethylsulfamoylamino)piperidin-1-yl]ethanethioamide?
The canonical SMILES for 2-[4-(2,2,2-trifluoroethylsulfamoylamino)piperidin-1-yl]ethanethioamide is NC(=S)CN1CCC(NS(=O)(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-[4-(2,2,2-trifluoroethylsulfamoylamino)piperidin-1-yl]ethanethioamide?
The InChIKey is QMHUOGOIYCJCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N4O2S2/c10-9(11,12)6-14-20(17,18)15-7-1-3-16(4-2-7)5-8(13)19/h7,14-15H,1-6H2,(H2,13,19).
What are the key properties of 2-[4-(2,2,2-trifluoroethylsulfamoylamino)piperidin-1-yl]ethanethioamide?
2-[4-(2,2,2-trifluoroethylsulfamoylamino)piperidin-1-yl]ethanethioamide has a molecular weight of 334.39 g/mol, XLogP of -0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2,2-trifluoroethylsulfamoylamino)piperidin-1-yl]ethanethioamide is sourced from PubChem (CID 114808398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).