N-(2-fluoro-5-methoxyphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

C16H21FN2OS — CID 103967979

IUPACN-(2-fluoro-5-methoxyphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCOc1ccc(F)c(NC2=NCC3(CCCCC3)CS2)c1
InChIInChI=1S/C16H21FN2OS/c1-20-12-5-6-13(17)14(9-12)19-15-18-10-16(11-21-15)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,18,19)
InChIKeyCZGAEFCRQXXOEY-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.30
Rot. Bonds2

About N-(2-fluoro-5-methoxyphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

N-(2-fluoro-5-methoxyphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967979) has the molecular formula C16H21FN2OS and a molecular weight of 308.42 g/mol. Its IUPAC name is N-(2-fluoro-5-methoxyphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-(2-fluoro-5-methoxyphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967979
Molecular FormulaC16H21FN2OS
Molecular Weight308.42 g/mol
Exact Mass308.14
IUPAC NameN-(2-fluoro-5-methoxyphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCOc1ccc(F)c(NC2=NCC3(CCCCC3)CS2)c1
InChIInChI=1S/C16H21FN2OS/c1-20-12-5-6-13(17)14(9-12)19-15-18-10-16(11-21-15)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,18,19)
InChIKeyCZGAEFCRQXXOEY-UHFFFAOYSA-N
XLogP4.30
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-fluoro-5-methoxyphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-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-(4-methoxyphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967536
N-(2,3,4-trifluorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967580
N-(4-fluorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967612
N-(2,4,6-trifluorophenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361736
N-(3-fluoro-5-methylphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967962
N-(3-bromo-4-methoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361730
N-[2-(trifluoromethyl)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361025
N-[2-(difluoromethoxy)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361210
N-(2,4,5-trichlorophenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361043
N-(4-bromophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967610
N-(4-methylsulfanylphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361044
N-(3,4-dichlorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967592

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methoxyphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-(2-fluoro-5-methoxyphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967979) is N-(2-fluoro-5-methoxyphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-(2-fluoro-5-methoxyphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-(2-fluoro-5-methoxyphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is COc1ccc(F)c(NC2=NCC3(CCCCC3)CS2)c1.
What is the InChIKey of N-(2-fluoro-5-methoxyphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is CZGAEFCRQXXOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2OS/c1-20-12-5-6-13(17)14(9-12)19-15-18-10-16(11-21-15)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,18,19).
What are the key properties of N-(2-fluoro-5-methoxyphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-(2-fluoro-5-methoxyphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 308.42 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methoxyphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).