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

C15H19FN2S — CID 62525914

IUPACN-(2-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESCC1CCCC2(CSC(Nc3ccccc3F)=N2)C1
InChIInChI=1S/C15H19FN2S/c1-11-5-4-8-15(9-11)10-19-14(18-15)17-13-7-3-2-6-12(13)16/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,17,18)
InChIKeyPKHLCSPKSLBNJR-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.29
Rot. Bonds1

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

N-(2-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (PubChem CID 62525914) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(2-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
PubChem CID62525914
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC NameN-(2-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESCC1CCCC2(CSC(Nc3ccccc3F)=N2)C1
InChIInChI=1S/C15H19FN2S/c1-11-5-4-8-15(9-11)10-19-14(18-15)17-13-7-3-2-6-12(13)16/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,17,18)
InChIKeyPKHLCSPKSLBNJR-UHFFFAOYSA-N
XLogP4.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The IUPAC name of N-(2-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (CID 62525914) is N-(2-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.
What is the SMILES notation for N-(2-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The canonical SMILES for N-(2-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is CC1CCCC2(CSC(Nc3ccccc3F)=N2)C1.
What is the InChIKey of N-(2-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The InChIKey is PKHLCSPKSLBNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S/c1-11-5-4-8-15(9-11)10-19-14(18-15)17-13-7-3-2-6-12(13)16/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,17,18).
What are the key properties of N-(2-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
N-(2-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine has a molecular weight of 278.40 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is sourced from PubChem (CID 62525914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).