2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]ethanamine

C6H12F3N3O2S — CID 84803316

IUPAC2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]ethanamine
SMILESNCCN1CCN(CC(F)(F)F)S1(=O)=O
InChIInChI=1S/C6H12F3N3O2S/c7-6(8,9)5-12-4-3-11(2-1-10)15(12,13)14/h1-5,10H2
InChIKeyDEXPNCCLRBTRIC-UHFFFAOYSA-N
MW247.24 g/mol
LogP-0.63
Rot. Bonds3

About 2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]ethanamine

2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]ethanamine (PubChem CID 84803316) has the molecular formula C6H12F3N3O2S and a molecular weight of 247.24 g/mol. Its IUPAC name is 2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]ethanamine
PubChem CID84803316
Molecular FormulaC6H12F3N3O2S
Molecular Weight247.24 g/mol
Exact Mass247.06
IUPAC Name2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]ethanamine
SMILESNCCN1CCN(CC(F)(F)F)S1(=O)=O
InChIInChI=1S/C6H12F3N3O2S/c7-6(8,9)5-12-4-3-11(2-1-10)15(12,13)14/h1-5,10H2
InChIKeyDEXPNCCLRBTRIC-UHFFFAOYSA-N
XLogP-0.63
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,5-Thiadiazolidine, 2-ethyl-, 1,1-dioxide
CID 10419354
2-(2-Aminoethyl)-1lambda6,2,5-thiadiazolidine-1,1-dione
CID 68282469
3-[1,1-Dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]propan-1-amine
CID 84806755
2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-N-methylethanamine
CID 84806756
(3R)-3-amino-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
CID 104978144
(3S)-3-amino-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
CID 104978150
2-[2-Aminoethyl(methylsulfamoyl)amino]-1,1-difluoroethane
CID 107493794
2-[2-Aminoethyl(sulfamoyl)amino]-1,1-difluoroethane
CID 107493820
N-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrrolidine-1-sulfonamide
CID 107493831
2-[2-Aminoethyl(ethylsulfamoyl)amino]-1,1-difluoroethane
CID 107493861
N'-(2,2-difluoroethyl)-N'-(dimethylsulfamoyl)ethane-1,2-diamine
CID 107493872
2-[2-Aminoethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane
CID 107493881

Frequently Asked Questions

What is the IUPAC name of 2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]ethanamine?
The IUPAC name of 2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]ethanamine (CID 84803316) is 2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]ethanamine.
What is the SMILES notation for 2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]ethanamine?
The canonical SMILES for 2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]ethanamine is NCCN1CCN(CC(F)(F)F)S1(=O)=O.
What is the InChIKey of 2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]ethanamine?
The InChIKey is DEXPNCCLRBTRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N3O2S/c7-6(8,9)5-12-4-3-11(2-1-10)15(12,13)14/h1-5,10H2.
What are the key properties of 2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]ethanamine?
2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]ethanamine has a molecular weight of 247.24 g/mol, XLogP of -0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]ethanamine is sourced from PubChem (CID 84803316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).