N-[3-(trifluoromethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

C14H15F3N2OS — CID 106297649

IUPACN-[3-(trifluoromethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESFC(F)(F)c1cccc(NC2=NC3(CCOCC3)CS2)c1
InChIInChI=1S/C14H15F3N2OS/c15-14(16,17)10-2-1-3-11(8-10)18-12-19-13(9-21-12)4-6-20-7-5-13/h1-3,8H,4-7,9H2,(H,18,19)
InChIKeyMJWGIZBIXJLDJT-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.77
Rot. Bonds1

About N-[3-(trifluoromethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

N-[3-(trifluoromethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (PubChem CID 106297649) has the molecular formula C14H15F3N2OS and a molecular weight of 316.35 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
PubChem CID106297649
Molecular FormulaC14H15F3N2OS
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC NameN-[3-(trifluoromethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESFC(F)(F)c1cccc(NC2=NC3(CCOCC3)CS2)c1
InChIInChI=1S/C14H15F3N2OS/c15-14(16,17)10-2-1-3-11(8-10)18-12-19-13(9-21-12)4-6-20-7-5-13/h1-3,8H,4-7,9H2,(H,18,19)
InChIKeyMJWGIZBIXJLDJT-UHFFFAOYSA-N
XLogP3.77
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (CID 106297649) is N-[3-(trifluoromethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is FC(F)(F)c1cccc(NC2=NC3(CCOCC3)CS2)c1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The InChIKey is MJWGIZBIXJLDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2OS/c15-14(16,17)10-2-1-3-11(8-10)18-12-19-13(9-21-12)4-6-20-7-5-13/h1-3,8H,4-7,9H2,(H,18,19).
What are the key properties of N-[3-(trifluoromethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
N-[3-(trifluoromethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine has a molecular weight of 316.35 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is sourced from PubChem (CID 106297649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).