2,2,2-trifluoro-N-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]ethanamine

C5H9F3N6O2S — CID 114810038

IUPAC2,2,2-trifluoro-N-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]ethanamine
SMILESCC(NS(=O)(=O)NCC(F)(F)F)c1nn[nH]n1
InChIInChI=1S/C5H9F3N6O2S/c1-3(4-10-13-14-11-4)12-17(15,16)9-2-5(6,7)8/h3,9,12H,2H2,1H3,(H,10,11,13,14)
InChIKeyZQUXYKOUOGYKCJ-UHFFFAOYSA-N
MW274.23 g/mol
LogP-0.75
Rot. Bonds5

About 2,2,2-trifluoro-N-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]ethanamine

2,2,2-trifluoro-N-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]ethanamine (PubChem CID 114810038) has the molecular formula C5H9F3N6O2S and a molecular weight of 274.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]ethanamine
PubChem CID114810038
Molecular FormulaC5H9F3N6O2S
Molecular Weight274.23 g/mol
Exact Mass274.05
IUPAC Name2,2,2-trifluoro-N-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]ethanamine
SMILESCC(NS(=O)(=O)NCC(F)(F)F)c1nn[nH]n1
InChIInChI=1S/C5H9F3N6O2S/c1-3(4-10-13-14-11-4)12-17(15,16)9-2-5(6,7)8/h3,9,12H,2H2,1H3,(H,10,11,13,14)
InChIKeyZQUXYKOUOGYKCJ-UHFFFAOYSA-N
XLogP-0.75
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2,2,2-trifluoro-N-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]ethanamine 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

1,1,1-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]methanesulfonamide
CID 61855783
1,1-difluoro-N-[1-(2H-tetrazol-5-yl)ethyl]methanesulfonamide
CID 61855983
4,4,4-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]butane-1-sulfonamide
CID 83057927
2,2,2-trifluoro-N-(2H-tetrazol-5-ylmethylsulfamoyl)ethanamine
CID 114810045
N-[1-(2H-tetrazol-5-yl)ethyl]methanesulfonamide
CID 61856376
5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-2H-tetrazole
CID 61854193
5-[1-(dimethylsulfamoylamino)ethyl]-2H-tetrazole
CID 61854580
5-[1-(diethylsulfamoylamino)ethyl]-2H-tetrazole
CID 61854981
5-[1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethyl]-2H-tetrazole
CID 61855627
5-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]-2H-tetrazole
CID 61856570
5-[1-(sulfamoylamino)ethyl]-2H-tetrazole
CID 112573734
2-methyl-N-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]propan-2-amine
CID 114810035

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]ethanamine (CID 114810038) is 2,2,2-trifluoro-N-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]ethanamine is CC(NS(=O)(=O)NCC(F)(F)F)c1nn[nH]n1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]ethanamine?
The InChIKey is ZQUXYKOUOGYKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N6O2S/c1-3(4-10-13-14-11-4)12-17(15,16)9-2-5(6,7)8/h3,9,12H,2H2,1H3,(H,10,11,13,14).
What are the key properties of 2,2,2-trifluoro-N-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]ethanamine?
2,2,2-trifluoro-N-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]ethanamine has a molecular weight of 274.23 g/mol, XLogP of -0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]ethanamine is sourced from PubChem (CID 114810038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).