4-amino-1-methyl-8-thia-1,3-diazaspiro[4.5]dec-3-en-2-one

C8H13N3OS — CID 79960129

IUPAC4-amino-1-methyl-8-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCN1C(=O)N=C(N)C12CCSCC2
InChIInChI=1S/C8H13N3OS/c1-11-7(12)10-6(9)8(11)2-4-13-5-3-8/h2-5H2,1H3,(H2,9,10,12)
InChIKeyRELOOKBZTFGTDF-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.67
Rot. Bonds

About 4-amino-1-methyl-8-thia-1,3-diazaspiro[4.5]dec-3-en-2-one

4-amino-1-methyl-8-thia-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79960129) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 4-amino-1-methyl-8-thia-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-methyl-8-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79960129
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name4-amino-1-methyl-8-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCN1C(=O)N=C(N)C12CCSCC2
InChIInChI=1S/C8H13N3OS/c1-11-7(12)10-6(9)8(11)2-4-13-5-3-8/h2-5H2,1H3,(H2,9,10,12)
InChIKeyRELOOKBZTFGTDF-UHFFFAOYSA-N
XLogP0.67
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-8-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-1-methyl-8-thia-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79960129) is 4-amino-1-methyl-8-thia-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-1-methyl-8-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-1-methyl-8-thia-1,3-diazaspiro[4.5]dec-3-en-2-one is CN1C(=O)N=C(N)C12CCSCC2.
What is the InChIKey of 4-amino-1-methyl-8-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is RELOOKBZTFGTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-11-7(12)10-6(9)8(11)2-4-13-5-3-8/h2-5H2,1H3,(H2,9,10,12).
What are the key properties of 4-amino-1-methyl-8-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-1-methyl-8-thia-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 199.28 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-8-thia-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79960129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).