N-(2,2,2-trifluoroethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

C11H17F3N2S — CID 103967598

IUPACN-(2,2,2-trifluoroethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESFC(F)(F)CNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C11H17F3N2S/c12-11(13,14)7-16-9-15-6-10(8-17-9)4-2-1-3-5-10/h1-8H2,(H,15,16)
InChIKeyLNHGYYXHSULIEH-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.19
Rot. Bonds1

About N-(2,2,2-trifluoroethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

N-(2,2,2-trifluoroethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967598) has the molecular formula C11H17F3N2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967598
Molecular FormulaC11H17F3N2S
Molecular Weight266.33 g/mol
Exact Mass266.11
IUPAC NameN-(2,2,2-trifluoroethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESFC(F)(F)CNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C11H17F3N2S/c12-11(13,14)7-16-9-15-6-10(8-17-9)4-2-1-3-5-10/h1-8H2,(H,15,16)
InChIKeyLNHGYYXHSULIEH-UHFFFAOYSA-N
XLogP3.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967598) is N-(2,2,2-trifluoroethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is FC(F)(F)CNC1=NCC2(CCCCC2)CS1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is LNHGYYXHSULIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2S/c12-11(13,14)7-16-9-15-6-10(8-17-9)4-2-1-3-5-10/h1-8H2,(H,15,16).
What are the key properties of N-(2,2,2-trifluoroethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-(2,2,2-trifluoroethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 266.33 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).