N-(2,6-difluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

C15H18F2N2S — CID 62527307

IUPACN-(2,6-difluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESCC1CCCC2(CSC(Nc3c(F)cccc3F)=N2)C1
InChIInChI=1S/C15H18F2N2S/c1-10-4-3-7-15(8-10)9-20-14(19-15)18-13-11(16)5-2-6-12(13)17/h2,5-6,10H,3-4,7-9H2,1H3,(H,18,19)
InChIKeyZNHWBVNBFPWEDL-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.43
Rot. Bonds1

About N-(2,6-difluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

N-(2,6-difluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (PubChem CID 62527307) has the molecular formula C15H18F2N2S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
PubChem CID62527307
Molecular FormulaC15H18F2N2S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-(2,6-difluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESCC1CCCC2(CSC(Nc3c(F)cccc3F)=N2)C1
InChIInChI=1S/C15H18F2N2S/c1-10-4-3-7-15(8-10)9-20-14(19-15)18-13-11(16)5-2-6-12(13)17/h2,5-6,10H,3-4,7-9H2,1H3,(H,18,19)
InChIKeyZNHWBVNBFPWEDL-UHFFFAOYSA-N
XLogP4.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62525914
N-(3,4-difluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62526771
N-(4-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62525557
N-(3-fluoro-4-methylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62527302
N-(2,5-difluoro-4-methylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 103586624
N-(2-bromo-6-chloro-4-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 107614085
N-(2-chlorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62525559
7-methyl-N-(3-propan-2-ylphenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62527659
N-(5-chloro-2-methylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62526952
4-N,4-N-dimethyl-1-N-(7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)benzene-1,4-diamine
CID 62527313
N-(2,4-dimethylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62527301
N-[3-(methoxymethyl)phenyl]-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62527844

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The IUPAC name of N-(2,6-difluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (CID 62527307) is N-(2,6-difluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.
What is the SMILES notation for N-(2,6-difluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The canonical SMILES for N-(2,6-difluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is CC1CCCC2(CSC(Nc3c(F)cccc3F)=N2)C1.
What is the InChIKey of N-(2,6-difluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The InChIKey is ZNHWBVNBFPWEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2S/c1-10-4-3-7-15(8-10)9-20-14(19-15)18-13-11(16)5-2-6-12(13)17/h2,5-6,10H,3-4,7-9H2,1H3,(H,18,19).
What are the key properties of N-(2,6-difluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
N-(2,6-difluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine has a molecular weight of 296.39 g/mol, XLogP of 4.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is sourced from PubChem (CID 62527307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).