1-(2-methoxyphenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine

C13H17N3OS — CID 79514719

IUPAC1-(2-methoxyphenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCOc1ccccc1N1C(N)=NCC12CCSC2
InChIInChI=1S/C13H17N3OS/c1-17-11-5-3-2-4-10(11)16-12(14)15-8-13(16)6-7-18-9-13/h2-5H,6-9H2,1H3,(H2,14,15)
InChIKeyXTZBFYJEAPHLIR-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.71
Rot. Bonds2

About 1-(2-methoxyphenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine

1-(2-methoxyphenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine (PubChem CID 79514719) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
PubChem CID79514719
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name1-(2-methoxyphenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCOc1ccccc1N1C(N)=NCC12CCSC2
InChIInChI=1S/C13H17N3OS/c1-17-11-5-3-2-4-10(11)16-12(14)15-8-13(16)6-7-18-9-13/h2-5H,6-9H2,1H3,(H2,14,15)
InChIKeyXTZBFYJEAPHLIR-UHFFFAOYSA-N
XLogP1.71
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79514648
1-(2-methoxyphenyl)-9,9-dioxo-9λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79501433
1-(2-fluorophenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79520584
1-(2-chlorophenyl)-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79504898
1-(3-methylphenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79505067
1-(3-methoxyphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79514492
1-(3-fluorophenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79515023
7,7-dimethyl-1-(2-methylphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79947415
1-benzyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505951
1-(3-bromophenyl)-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79514337
1-(4-methoxyphenyl)-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79952942
1-(2-methylphenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505398

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The IUPAC name of 1-(2-methoxyphenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine (CID 79514719) is 1-(2-methoxyphenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine is COc1ccccc1N1C(N)=NCC12CCSC2.
What is the InChIKey of 1-(2-methoxyphenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The InChIKey is XTZBFYJEAPHLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-17-11-5-3-2-4-10(11)16-12(14)15-8-13(16)6-7-18-9-13/h2-5H,6-9H2,1H3,(H2,14,15).
What are the key properties of 1-(2-methoxyphenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
1-(2-methoxyphenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine has a molecular weight of 263.37 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine is sourced from PubChem (CID 79514719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).