N-(2,4-dimethylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

C17H24N2S — CID 62527301

IUPACN-(2,4-dimethylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESCc1ccc(NC2=NC3(CCCC(C)C3)CS2)c(C)c1
InChIInChI=1S/C17H24N2S/c1-12-6-7-15(14(3)9-12)18-16-19-17(11-20-16)8-4-5-13(2)10-17/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,18,19)
InChIKeyJDYKMQDPQCXFIW-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.77
Rot. Bonds1

About N-(2,4-dimethylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

N-(2,4-dimethylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (PubChem CID 62527301) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
PubChem CID62527301
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-(2,4-dimethylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESCc1ccc(NC2=NC3(CCCC(C)C3)CS2)c(C)c1
InChIInChI=1S/C17H24N2S/c1-12-6-7-15(14(3)9-12)18-16-19-17(11-20-16)8-4-5-13(2)10-17/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,18,19)
InChIKeyJDYKMQDPQCXFIW-UHFFFAOYSA-N
XLogP4.77
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62526952
N-(2,5-difluoro-4-methylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 103586624
N-(2-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62525914
N-(2-chlorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62525559
N-(3-fluoro-4-methylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62527302
N-(4-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62525557
N-(2,6-difluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62527307
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-(3,4-difluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62526771
N-(2-bromo-4-methylphenyl)-8-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62527819
7-methyl-N-(4-propylphenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62526955
N-(2-chloro-4-methylphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 62525170

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (CID 62527301) is N-(2,4-dimethylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is Cc1ccc(NC2=NC3(CCCC(C)C3)CS2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The InChIKey is JDYKMQDPQCXFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-12-6-7-15(14(3)9-12)18-16-19-17(11-20-16)8-4-5-13(2)10-17/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,18,19).
What are the key properties of N-(2,4-dimethylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
N-(2,4-dimethylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine has a molecular weight of 288.46 g/mol, XLogP of 4.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is sourced from PubChem (CID 62527301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).