5'-fluoro-1'-(2-methylsulfanylethyl)spiro[piperidine-4,2'-quinazoline]-4'-amine

C15H21FN4S — CID 161200366

IUPAC5'-fluoro-1'-(2-methylsulfanylethyl)spiro[piperidine-4,2'-quinazoline]-4'-amine
SMILESCSCCN1c2cccc(F)c2C(N)=NC12CCNCC2
InChIInChI=1S/C15H21FN4S/c1-21-10-9-20-12-4-2-3-11(16)13(12)14(17)19-15(20)5-7-18-8-6-15/h2-4,18H,5-10H2,1H3,(H2,17,19)
InChIKeyUUWXJILVVQMLCK-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.79
Rot. Bonds3

About 5'-fluoro-1'-(2-methylsulfanylethyl)spiro[piperidine-4,2'-quinazoline]-4'-amine

5'-fluoro-1'-(2-methylsulfanylethyl)spiro[piperidine-4,2'-quinazoline]-4'-amine (PubChem CID 161200366) has the molecular formula C15H21FN4S and a molecular weight of 308.43 g/mol. Its IUPAC name is 5'-fluoro-1'-(2-methylsulfanylethyl)spiro[piperidine-4,2'-quinazoline]-4'-amine.

Molecular Properties

Compound Name5'-fluoro-1'-(2-methylsulfanylethyl)spiro[piperidine-4,2'-quinazoline]-4'-amine
PubChem CID161200366
Molecular FormulaC15H21FN4S
Molecular Weight308.43 g/mol
Exact Mass308.15
IUPAC Name5'-fluoro-1'-(2-methylsulfanylethyl)spiro[piperidine-4,2'-quinazoline]-4'-amine
SMILESCSCCN1c2cccc(F)c2C(N)=NC12CCNCC2
InChIInChI=1S/C15H21FN4S/c1-21-10-9-20-12-4-2-3-11(16)13(12)14(17)19-15(20)5-7-18-8-6-15/h2-4,18H,5-10H2,1H3,(H2,17,19)
InChIKeyUUWXJILVVQMLCK-UHFFFAOYSA-N
XLogP1.79
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5'-fluoro-1'-(2-methylsulfanylethyl)spiro[piperidine-4,2'-quinazoline]-4'-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5'-fluoro-1'-(2-methylsulfanylethyl)spiro[piperidine-4,2'-quinazoline]-4'-amine?
The IUPAC name of 5'-fluoro-1'-(2-methylsulfanylethyl)spiro[piperidine-4,2'-quinazoline]-4'-amine (CID 161200366) is 5'-fluoro-1'-(2-methylsulfanylethyl)spiro[piperidine-4,2'-quinazoline]-4'-amine.
What is the SMILES notation for 5'-fluoro-1'-(2-methylsulfanylethyl)spiro[piperidine-4,2'-quinazoline]-4'-amine?
The canonical SMILES for 5'-fluoro-1'-(2-methylsulfanylethyl)spiro[piperidine-4,2'-quinazoline]-4'-amine is CSCCN1c2cccc(F)c2C(N)=NC12CCNCC2.
What is the InChIKey of 5'-fluoro-1'-(2-methylsulfanylethyl)spiro[piperidine-4,2'-quinazoline]-4'-amine?
The InChIKey is UUWXJILVVQMLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4S/c1-21-10-9-20-12-4-2-3-11(16)13(12)14(17)19-15(20)5-7-18-8-6-15/h2-4,18H,5-10H2,1H3,(H2,17,19).
What are the key properties of 5'-fluoro-1'-(2-methylsulfanylethyl)spiro[piperidine-4,2'-quinazoline]-4'-amine?
5'-fluoro-1'-(2-methylsulfanylethyl)spiro[piperidine-4,2'-quinazoline]-4'-amine has a molecular weight of 308.43 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-fluoro-1'-(2-methylsulfanylethyl)spiro[piperidine-4,2'-quinazoline]-4'-amine is sourced from PubChem (CID 161200366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).