N-(2-chloro-5-methoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine

C14H17ClN2OS — CID 62517518

IUPACN-(2-chloro-5-methoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
SMILESCOc1ccc(Cl)c(NC2=NC3(CCCC3)CS2)c1
InChIInChI=1S/C14H17ClN2OS/c1-18-10-4-5-11(15)12(8-10)16-13-17-14(9-19-13)6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,17)
InChIKeyJJONZBVAXPJPQJ-UHFFFAOYSA-N
MW296.82 g/mol
LogP4.18
Rot. Bonds2

About N-(2-chloro-5-methoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine

N-(2-chloro-5-methoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine (PubChem CID 62517518) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
PubChem CID62517518
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC NameN-(2-chloro-5-methoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
SMILESCOc1ccc(Cl)c(NC2=NC3(CCCC3)CS2)c1
InChIInChI=1S/C14H17ClN2OS/c1-18-10-4-5-11(15)12(8-10)16-13-17-14(9-19-13)6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,17)
InChIKeyJJONZBVAXPJPQJ-UHFFFAOYSA-N
XLogP4.18
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 62522943
N-(2-methoxy-5-methylphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 62524507
N-(4-fluoro-2-methoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 62516977
N-(4-bromo-2,3-dichlorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 107791726
N-(3,5-dichlorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 62524652
N-(2-chlorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62525559
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-(2,4-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 43382052
N-(2-fluoro-5-methoxyphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967979
N-(2-chloro-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 107637550
N-(2,4-dichlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106297662

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine (CID 62517518) is N-(2-chloro-5-methoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine is COc1ccc(Cl)c(NC2=NC3(CCCC3)CS2)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine?
The InChIKey is JJONZBVAXPJPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c1-18-10-4-5-11(15)12(8-10)16-13-17-14(9-19-13)6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,17).
What are the key properties of N-(2-chloro-5-methoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine?
N-(2-chloro-5-methoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine has a molecular weight of 296.82 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine is sourced from PubChem (CID 62517518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).