N-[1-(trifluoromethyl)cyclopropyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

C13H19F3N2S — CID 106219345

IUPACN-[1-(trifluoromethyl)cyclopropyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESFC(F)(F)C1(NC2=NCC3(CCCCC3)CS2)CC1
InChIInChI=1S/C13H19F3N2S/c14-13(15,16)12(6-7-12)18-10-17-8-11(9-19-10)4-2-1-3-5-11/h1-9H2,(H,17,18)
InChIKeyZICJRRBKRUJMGZ-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.72
Rot. Bonds1

About N-[1-(trifluoromethyl)cyclopropyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

N-[1-(trifluoromethyl)cyclopropyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 106219345) has the molecular formula C13H19F3N2S and a molecular weight of 292.37 g/mol. Its IUPAC name is N-[1-(trifluoromethyl)cyclopropyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-[1-(trifluoromethyl)cyclopropyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID106219345
Molecular FormulaC13H19F3N2S
Molecular Weight292.37 g/mol
Exact Mass292.12
IUPAC NameN-[1-(trifluoromethyl)cyclopropyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESFC(F)(F)C1(NC2=NCC3(CCCCC3)CS2)CC1
InChIInChI=1S/C13H19F3N2S/c14-13(15,16)12(6-7-12)18-10-17-8-11(9-19-10)4-2-1-3-5-11/h1-9H2,(H,17,18)
InChIKeyZICJRRBKRUJMGZ-UHFFFAOYSA-N
XLogP3.72
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 106219345) is N-[1-(trifluoromethyl)cyclopropyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-[1-(trifluoromethyl)cyclopropyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-[1-(trifluoromethyl)cyclopropyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is FC(F)(F)C1(NC2=NCC3(CCCCC3)CS2)CC1.
What is the InChIKey of N-[1-(trifluoromethyl)cyclopropyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is ZICJRRBKRUJMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2S/c14-13(15,16)12(6-7-12)18-10-17-8-11(9-19-10)4-2-1-3-5-11/h1-9H2,(H,17,18).
What are the key properties of N-[1-(trifluoromethyl)cyclopropyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-[1-(trifluoromethyl)cyclopropyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 292.37 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(trifluoromethyl)cyclopropyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 106219345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).