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

C7H11N3OS — CID 55250807

IUPAC4-amino-8-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESNC1=NC(=O)NC12CCSCC2
InChIInChI=1S/C7H11N3OS/c8-5-7(10-6(11)9-5)1-3-12-4-2-7/h1-4H2,(H3,8,9,10,11)
InChIKeyDCFXPEXSOARRDK-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.33
Rot. Bonds

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

4-amino-8-thia-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 55250807) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 4-amino-8-thia-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-8-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID55250807
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name4-amino-8-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESNC1=NC(=O)NC12CCSCC2
InChIInChI=1S/C7H11N3OS/c8-5-7(10-6(11)9-5)1-3-12-4-2-7/h1-4H2,(H3,8,9,10,11)
InChIKeyDCFXPEXSOARRDK-UHFFFAOYSA-N
XLogP0.33
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-8-thia-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 55250807) is 4-amino-8-thia-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-8-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-8-thia-1,3-diazaspiro[4.5]dec-3-en-2-one is NC1=NC(=O)NC12CCSCC2.
What is the InChIKey of 4-amino-8-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is DCFXPEXSOARRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c8-5-7(10-6(11)9-5)1-3-12-4-2-7/h1-4H2,(H3,8,9,10,11).
What are the key properties of 4-amino-8-thia-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-8-thia-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 185.25 g/mol, XLogP of 0.33, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-thia-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 55250807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).