N-(2,4-dimethoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine

C15H20N2O2S — CID 62522943

IUPACN-(2,4-dimethoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
SMILESCOc1ccc(NC2=NC3(CCCC3)CS2)c(OC)c1
InChIInChI=1S/C15H20N2O2S/c1-18-11-5-6-12(13(9-11)19-2)16-14-17-15(10-20-14)7-3-4-8-15/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,17)
InChIKeyXTJXZDGBJJKTEF-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.53
Rot. Bonds3

About N-(2,4-dimethoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine

N-(2,4-dimethoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine (PubChem CID 62522943) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
PubChem CID62522943
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-(2,4-dimethoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
SMILESCOc1ccc(NC2=NC3(CCCC3)CS2)c(OC)c1
InChIInChI=1S/C15H20N2O2S/c1-18-11-5-6-12(13(9-11)19-2)16-14-17-15(10-20-14)7-3-4-8-15/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,17)
InChIKeyXTJXZDGBJJKTEF-UHFFFAOYSA-N
XLogP3.53
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluoro-2-methoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 62516977
N-(2-chloro-5-methoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 62517518
N-(2,4-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 43382052
N-(2-methoxy-5-methylphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 62524507
N-(4-fluoro-2-methoxyphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106298265
N-(2,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106362621
N-(4-bromo-2,3-dichlorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 107791726
2-N,2-N-dimethyl-1-N-(3-thia-1-azaspiro[4.5]dec-1-en-2-yl)benzene-1,2-diamine
CID 106760311
N-(5-methoxy-1-methylpyrazol-3-yl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 114256131
N-(2-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 2363426
N-(2,3-difluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62526066
2,4-dimethoxy-N-methylaniline;ethane
CID 143206191

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine (CID 62522943) is N-(2,4-dimethoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine is COc1ccc(NC2=NC3(CCCC3)CS2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine?
The InChIKey is XTJXZDGBJJKTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-18-11-5-6-12(13(9-11)19-2)16-14-17-15(10-20-14)7-3-4-8-15/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,17).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine?
N-(2,4-dimethoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine has a molecular weight of 292.40 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine is sourced from PubChem (CID 62522943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).