N-[2-(difluoromethoxy)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine

C15H18F2N2OS — CID 115361210

IUPACN-[2-(difluoromethoxy)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESFC(F)Oc1ccccc1NC1=NCC2(CCCC2)CS1
InChIInChI=1S/C15H18F2N2OS/c16-13(17)20-12-6-2-1-5-11(12)19-14-18-9-15(10-21-14)7-3-4-8-15/h1-2,5-6,13H,3-4,7-10H2,(H,18,19)
InChIKeyBQAQLGFNSFHRPI-UHFFFAOYSA-N
MW312.38 g/mol
LogP4.36
Rot. Bonds3

About N-[2-(difluoromethoxy)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine

N-[2-(difluoromethoxy)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (PubChem CID 115361210) has the molecular formula C15H18F2N2OS and a molecular weight of 312.38 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
PubChem CID115361210
Molecular FormulaC15H18F2N2OS
Molecular Weight312.38 g/mol
Exact Mass312.11
IUPAC NameN-[2-(difluoromethoxy)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESFC(F)Oc1ccccc1NC1=NCC2(CCCC2)CS1
InChIInChI=1S/C15H18F2N2OS/c16-13(17)20-12-6-2-1-5-11(12)19-14-18-9-15(10-21-14)7-3-4-8-15/h1-2,5-6,13H,3-4,7-10H2,(H,18,19)
InChIKeyBQAQLGFNSFHRPI-UHFFFAOYSA-N
XLogP4.36
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (CID 115361210) is N-[2-(difluoromethoxy)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is FC(F)Oc1ccccc1NC1=NCC2(CCCC2)CS1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The InChIKey is BQAQLGFNSFHRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2OS/c16-13(17)20-12-6-2-1-5-11(12)19-14-18-9-15(10-21-14)7-3-4-8-15/h1-2,5-6,13H,3-4,7-10H2,(H,18,19).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
N-[2-(difluoromethoxy)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine has a molecular weight of 312.38 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is sourced from PubChem (CID 115361210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).