N-(2-bromo-6-chloro-4-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

C15H17BrClFN2S — CID 107614085

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESCC1CCCC2(CSC(Nc3c(Cl)cc(F)cc3Br)=N2)C1
InChIInChI=1S/C15H17BrClFN2S/c1-9-3-2-4-15(7-9)8-21-14(20-15)19-13-11(16)5-10(18)6-12(13)17/h5-6,9H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyUQZUDPVHNHGMAB-UHFFFAOYSA-N
MW391.74 g/mol
LogP5.71
Rot. Bonds1

About N-(2-bromo-6-chloro-4-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

N-(2-bromo-6-chloro-4-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (PubChem CID 107614085) has the molecular formula C15H17BrClFN2S and a molecular weight of 391.74 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
PubChem CID107614085
Molecular FormulaC15H17BrClFN2S
Molecular Weight391.74 g/mol
Exact Mass390.00
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESCC1CCCC2(CSC(Nc3c(Cl)cc(F)cc3Br)=N2)C1
InChIInChI=1S/C15H17BrClFN2S/c1-9-3-2-4-15(7-9)8-21-14(20-15)19-13-11(16)5-10(18)6-12(13)17/h5-6,9H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyUQZUDPVHNHGMAB-UHFFFAOYSA-N
XLogP5.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.74
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62527307
N-(4-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62525557
N-(2-chlorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62525559
N-(2-bromo-6-chloro-4-fluorophenyl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine
CID 107614079
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-(2,5-difluoro-4-methylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 103586624
N-(5-chloro-2-methylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62526952
N-(3-fluoro-4-methylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62527302
N-(2-bromo-6-chloro-4-fluorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 107614089
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

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (CID 107614085) is N-(2-bromo-6-chloro-4-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is CC1CCCC2(CSC(Nc3c(Cl)cc(F)cc3Br)=N2)C1.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The InChIKey is UQZUDPVHNHGMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClFN2S/c1-9-3-2-4-15(7-9)8-21-14(20-15)19-13-11(16)5-10(18)6-12(13)17/h5-6,9H,2-4,7-8H2,1H3,(H,19,20).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
N-(2-bromo-6-chloro-4-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine has a molecular weight of 391.74 g/mol, XLogP of 5.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is sourced from PubChem (CID 107614085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).