1,1-dioxo-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiolan-3-amine

C7H8F3N3O3S — CID 63166126

IUPAC1,1-dioxo-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiolan-3-amine
SMILESNC1(c2noc(C(F)(F)F)n2)CCS(=O)(=O)C1
InChIInChI=1S/C7H8F3N3O3S/c8-7(9,10)5-12-4(13-16-5)6(11)1-2-17(14,15)3-6/h1-3,11H2
InChIKeyMOVSXJCWPVBFFV-UHFFFAOYSA-N
MW271.22 g/mol
LogP0.06
Rot. Bonds1

About 1,1-dioxo-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiolan-3-amine

1,1-dioxo-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiolan-3-amine (PubChem CID 63166126) has the molecular formula C7H8F3N3O3S and a molecular weight of 271.22 g/mol. Its IUPAC name is 1,1-dioxo-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiolan-3-amine.

Molecular Properties

Compound Name1,1-dioxo-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiolan-3-amine
PubChem CID63166126
Molecular FormulaC7H8F3N3O3S
Molecular Weight271.22 g/mol
Exact Mass271.02
IUPAC Name1,1-dioxo-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiolan-3-amine
SMILESNC1(c2noc(C(F)(F)F)n2)CCS(=O)(=O)C1
InChIInChI=1S/C7H8F3N3O3S/c8-7(9,10)5-12-4(13-16-5)6(11)1-2-17(14,15)3-6/h1-3,11H2
InChIKeyMOVSXJCWPVBFFV-UHFFFAOYSA-N
XLogP0.06
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiolan-3-amine?
The IUPAC name of 1,1-dioxo-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiolan-3-amine (CID 63166126) is 1,1-dioxo-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiolan-3-amine.
What is the SMILES notation for 1,1-dioxo-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiolan-3-amine?
The canonical SMILES for 1,1-dioxo-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiolan-3-amine is NC1(c2noc(C(F)(F)F)n2)CCS(=O)(=O)C1.
What is the InChIKey of 1,1-dioxo-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiolan-3-amine?
The InChIKey is MOVSXJCWPVBFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O3S/c8-7(9,10)5-12-4(13-16-5)6(11)1-2-17(14,15)3-6/h1-3,11H2.
What are the key properties of 1,1-dioxo-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiolan-3-amine?
1,1-dioxo-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiolan-3-amine has a molecular weight of 271.22 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiolan-3-amine is sourced from PubChem (CID 63166126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).