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

C14H16BrFN2S — CID 107601465

IUPACN-(2-bromo-6-fluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESFc1cccc(Br)c1NC1=NC2(CCCCC2)CS1
InChIInChI=1S/C14H16BrFN2S/c15-10-5-4-6-11(16)12(10)17-13-18-14(9-19-13)7-2-1-3-8-14/h4-6H,1-3,7-9H2,(H,17,18)
InChIKeyMLLYCBQOJAXBLY-UHFFFAOYSA-N
MW343.27 g/mol
LogP4.81
Rot. Bonds1

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

N-(2-bromo-6-fluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (PubChem CID 107601465) has the molecular formula C14H16BrFN2S and a molecular weight of 343.27 g/mol. Its IUPAC name is N-(2-bromo-6-fluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.

Molecular Properties

Compound NameN-(2-bromo-6-fluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
PubChem CID107601465
Molecular FormulaC14H16BrFN2S
Molecular Weight343.27 g/mol
Exact Mass342.02
IUPAC NameN-(2-bromo-6-fluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESFc1cccc(Br)c1NC1=NC2(CCCCC2)CS1
InChIInChI=1S/C14H16BrFN2S/c15-10-5-4-6-11(16)12(10)17-13-18-14(9-19-13)7-2-1-3-8-14/h4-6H,1-3,7-9H2,(H,17,18)
InChIKeyMLLYCBQOJAXBLY-UHFFFAOYSA-N
XLogP4.81
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bromo-6-fluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-(2,3-difluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62526066
N-(2,6-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 65499433
N-(2,6-difluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62527307
N-(5-bromo-2-fluorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 55081376
N-(4-fluorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 62524988
N-(4-bromo-2,3-dichlorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 107791726
N-[2-(trifluoromethyl)phenyl]-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62527099
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62527626
N-(2,6-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106298642
N-pyrimidin-5-yl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 107589097
N-(2,6-dibromo-4-methylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106297519
2-N,2-N-dimethyl-1-N-(3-thia-1-azaspiro[4.5]dec-1-en-2-yl)benzene-1,2-diamine
CID 106760311

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-fluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The IUPAC name of N-(2-bromo-6-fluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (CID 107601465) is N-(2-bromo-6-fluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.
What is the SMILES notation for N-(2-bromo-6-fluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The canonical SMILES for N-(2-bromo-6-fluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is Fc1cccc(Br)c1NC1=NC2(CCCCC2)CS1.
What is the InChIKey of N-(2-bromo-6-fluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The InChIKey is MLLYCBQOJAXBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2S/c15-10-5-4-6-11(16)12(10)17-13-18-14(9-19-13)7-2-1-3-8-14/h4-6H,1-3,7-9H2,(H,17,18).
What are the key properties of N-(2-bromo-6-fluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
N-(2-bromo-6-fluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine has a molecular weight of 343.27 g/mol, XLogP of 4.81, 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-fluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is sourced from PubChem (CID 107601465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).