1-(2-methoxyphenyl)-9,9-dioxo-9λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine

C14H19N3O3S — CID 79501433

IUPAC1-(2-methoxyphenyl)-9,9-dioxo-9λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCOc1ccccc1N1C(N)=NCC12CCCS(=O)(=O)C2
InChIInChI=1S/C14H19N3O3S/c1-20-12-6-3-2-5-11(12)17-13(15)16-9-14(17)7-4-8-21(18,19)10-14/h2-3,5-6H,4,7-10H2,1H3,(H2,15,16)
InChIKeyGRNLBBHLQIOKKF-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.78
Rot. Bonds2

About 1-(2-methoxyphenyl)-9,9-dioxo-9λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-(2-methoxyphenyl)-9,9-dioxo-9λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79501433) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-9,9-dioxo-9λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-9,9-dioxo-9λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79501433
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name1-(2-methoxyphenyl)-9,9-dioxo-9λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCOc1ccccc1N1C(N)=NCC12CCCS(=O)(=O)C2
InChIInChI=1S/C14H19N3O3S/c1-20-12-6-3-2-5-11(12)17-13(15)16-9-14(17)7-4-8-21(18,19)10-14/h2-3,5-6H,4,7-10H2,1H3,(H2,15,16)
InChIKeyGRNLBBHLQIOKKF-UHFFFAOYSA-N
XLogP0.78
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-methoxyphenyl)-9,9-dioxo-9λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine with MolForge

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Related Compounds

1-(2-methoxyphenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79514719
1-(2-methoxyphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79514648
1-(2-chlorophenyl)-7-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 106874960
5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 79498361
1-(2-chlorophenyl)-7-methyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505349
1-(2-bromophenyl)-7-methyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79515144
1-benzyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79506525
1-(2-bromophenyl)-7-methyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine
CID 79514020
1-(2-methylphenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505398
1-(2-fluorophenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79520584
1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79504947
3-(2-methoxyphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 61290839

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-9,9-dioxo-9λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(2-methoxyphenyl)-9,9-dioxo-9λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79501433) is 1-(2-methoxyphenyl)-9,9-dioxo-9λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-9,9-dioxo-9λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-9,9-dioxo-9λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine is COc1ccccc1N1C(N)=NCC12CCCS(=O)(=O)C2.
What is the InChIKey of 1-(2-methoxyphenyl)-9,9-dioxo-9λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is GRNLBBHLQIOKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-20-12-6-3-2-5-11(12)17-13(15)16-9-14(17)7-4-8-21(18,19)10-14/h2-3,5-6H,4,7-10H2,1H3,(H2,15,16).
What are the key properties of 1-(2-methoxyphenyl)-9,9-dioxo-9λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-(2-methoxyphenyl)-9,9-dioxo-9λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 309.39 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-9,9-dioxo-9λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79501433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).