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

C12H19F3N2S — CID 103967876

IUPACN-(3,3,3-trifluoropropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESFC(F)(F)CCNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C12H19F3N2S/c13-12(14,15)6-7-16-10-17-8-11(9-18-10)4-2-1-3-5-11/h1-9H2,(H,16,17)
InChIKeyNJSNMWNFKNIICS-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.58
Rot. Bonds2

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

N-(3,3,3-trifluoropropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967876) has the molecular formula C12H19F3N2S and a molecular weight of 280.36 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967876
Molecular FormulaC12H19F3N2S
Molecular Weight280.36 g/mol
Exact Mass280.12
IUPAC NameN-(3,3,3-trifluoropropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESFC(F)(F)CCNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C12H19F3N2S/c13-12(14,15)6-7-16-10-17-8-11(9-18-10)4-2-1-3-5-11/h1-9H2,(H,16,17)
InChIKeyNJSNMWNFKNIICS-UHFFFAOYSA-N
XLogP3.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,3,3-trifluoropropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967876) is N-(3,3,3-trifluoropropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is FC(F)(F)CCNC1=NCC2(CCCCC2)CS1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is NJSNMWNFKNIICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2S/c13-12(14,15)6-7-16-10-17-8-11(9-18-10)4-2-1-3-5-11/h1-9H2,(H,16,17).
What are the key properties of N-(3,3,3-trifluoropropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-(3,3,3-trifluoropropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 280.36 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).