5-pyrrolidin-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)-1,3,4-oxadiazol-2-amine

C8H12F3N5O3S — CID 102703805

IUPAC5-pyrrolidin-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)-1,3,4-oxadiazol-2-amine
SMILESO=S(=O)(NCC(F)(F)F)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C8H12F3N5O3S/c9-8(10,11)4-13-20(17,18)16-7-15-14-6(19-7)5-2-1-3-12-5/h5,12-13H,1-4H2,(H,15,16)
InChIKeyMSIGPZFKELHQLX-UHFFFAOYSA-N
MW315.28 g/mol
LogP0.30
Rot. Bonds5

About 5-pyrrolidin-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)-1,3,4-oxadiazol-2-amine

5-pyrrolidin-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)-1,3,4-oxadiazol-2-amine (PubChem CID 102703805) has the molecular formula C8H12F3N5O3S and a molecular weight of 315.28 g/mol. Its IUPAC name is 5-pyrrolidin-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-pyrrolidin-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)-1,3,4-oxadiazol-2-amine
PubChem CID102703805
Molecular FormulaC8H12F3N5O3S
Molecular Weight315.28 g/mol
Exact Mass315.06
IUPAC Name5-pyrrolidin-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)-1,3,4-oxadiazol-2-amine
SMILESO=S(=O)(NCC(F)(F)F)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C8H12F3N5O3S/c9-8(10,11)4-13-20(17,18)16-7-15-14-6(19-7)5-2-1-3-12-5/h5,12-13H,1-4H2,(H,15,16)
InChIKeyMSIGPZFKELHQLX-UHFFFAOYSA-N
XLogP0.30
TPSA109.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-pyrrolidin-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)-1,3,4-oxadiazol-2-amine (CID 102703805) is 5-pyrrolidin-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-pyrrolidin-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-pyrrolidin-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)-1,3,4-oxadiazol-2-amine is O=S(=O)(NCC(F)(F)F)Nc1nnc(C2CCCN2)o1.
What is the InChIKey of 5-pyrrolidin-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is MSIGPZFKELHQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N5O3S/c9-8(10,11)4-13-20(17,18)16-7-15-14-6(19-7)5-2-1-3-12-5/h5,12-13H,1-4H2,(H,15,16).
What are the key properties of 5-pyrrolidin-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)-1,3,4-oxadiazol-2-amine?
5-pyrrolidin-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 315.28 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 102703805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).