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

C7H14F3N3O2S — CID 84806756

IUPAC2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-N-methylethanamine
SMILESCNCCN1CCN(CC(F)(F)F)S1(=O)=O
InChIInChI=1S/C7H14F3N3O2S/c1-11-2-3-12-4-5-13(16(12,14)15)6-7(8,9)10/h11H,2-6H2,1H3
InChIKeyRJJRWLRKHCUGRB-UHFFFAOYSA-N
MW261.27 g/mol
LogP-0.37
Rot. Bonds4

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

2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-N-methylethanamine (PubChem CID 84806756) has the molecular formula C7H14F3N3O2S and a molecular weight of 261.27 g/mol. Its IUPAC name is 2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-N-methylethanamine
PubChem CID84806756
Molecular FormulaC7H14F3N3O2S
Molecular Weight261.27 g/mol
Exact Mass261.08
IUPAC Name2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-N-methylethanamine
SMILESCNCCN1CCN(CC(F)(F)F)S1(=O)=O
InChIInChI=1S/C7H14F3N3O2S/c1-11-2-3-12-4-5-13(16(12,14)15)6-7(8,9)10/h11H,2-6H2,1H3
InChIKeyRJJRWLRKHCUGRB-UHFFFAOYSA-N
XLogP-0.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 5-0.37
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
N-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 60891761
N-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide
CID 62665312
2-[1,1-Dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]ethanamine
CID 84803316
3-[1,1-Dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]propan-1-amine
CID 84806755
3-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-N-methylpropan-1-amine
CID 84810696
2-[2-Aminoethyl(methylsulfamoyl)amino]-1,1-difluoroethane
CID 107493794
2-[2-Aminoethyl(sulfamoyl)amino]-1,1-difluoroethane
CID 107493820
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
2-[2-Aminoethyl(sulfamoyl)amino]-1,1,1-trifluoroethane
CID 107493907

Frequently Asked Questions

What is the IUPAC name of 2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-N-methylethanamine?
The IUPAC name of 2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-N-methylethanamine (CID 84806756) is 2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-N-methylethanamine is CNCCN1CCN(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]-N-methylethanamine?
The InChIKey is RJJRWLRKHCUGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O2S/c1-11-2-3-12-4-5-13(16(12,14)15)6-7(8,9)10/h11H,2-6H2,1H3.
What are the key properties of 2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-N-methylethanamine?
2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-N-methylethanamine has a molecular weight of 261.27 g/mol, XLogP of -0.37, 4 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]-N-methylethanamine is sourced from PubChem (CID 84806756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).