2,2-dioxo-2λ6-thia-1,3-diazaspiro[4.4]non-3-en-4-amine

C6H11N3O2S — CID 91811072

IUPAC2,2-dioxo-2λ6-thia-1,3-diazaspiro[4.4]non-3-en-4-amine
SMILESNC1=NS(=O)(=O)NC12CCCC2
InChIInChI=1S/C6H11N3O2S/c7-5-6(3-1-2-4-6)9-12(10,11)8-5/h9H,1-4H2,(H2,7,8)
InChIKeyXBOZMAVXIYHFKG-UHFFFAOYSA-N
MW189.24 g/mol
LogP-0.50
Rot. Bonds

About 2,2-dioxo-2λ6-thia-1,3-diazaspiro[4.4]non-3-en-4-amine

2,2-dioxo-2λ6-thia-1,3-diazaspiro[4.4]non-3-en-4-amine (PubChem CID 91811072) has the molecular formula C6H11N3O2S and a molecular weight of 189.24 g/mol. Its IUPAC name is 2,2-dioxo-2λ6-thia-1,3-diazaspiro[4.4]non-3-en-4-amine.

Molecular Properties

Compound Name2,2-dioxo-2λ6-thia-1,3-diazaspiro[4.4]non-3-en-4-amine
PubChem CID91811072
Molecular FormulaC6H11N3O2S
Molecular Weight189.24 g/mol
Exact Mass189.06
IUPAC Name2,2-dioxo-2λ6-thia-1,3-diazaspiro[4.4]non-3-en-4-amine
SMILESNC1=NS(=O)(=O)NC12CCCC2
InChIInChI=1S/C6H11N3O2S/c7-5-6(3-1-2-4-6)9-12(10,11)8-5/h9H,1-4H2,(H2,7,8)
InChIKeyXBOZMAVXIYHFKG-UHFFFAOYSA-N
XLogP-0.50
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dioxo-2λ6-thia-1,3-diazaspiro[4.4]non-3-en-4-amine?
The IUPAC name of 2,2-dioxo-2λ6-thia-1,3-diazaspiro[4.4]non-3-en-4-amine (CID 91811072) is 2,2-dioxo-2λ6-thia-1,3-diazaspiro[4.4]non-3-en-4-amine.
What is the SMILES notation for 2,2-dioxo-2λ6-thia-1,3-diazaspiro[4.4]non-3-en-4-amine?
The canonical SMILES for 2,2-dioxo-2λ6-thia-1,3-diazaspiro[4.4]non-3-en-4-amine is NC1=NS(=O)(=O)NC12CCCC2.
What is the InChIKey of 2,2-dioxo-2λ6-thia-1,3-diazaspiro[4.4]non-3-en-4-amine?
The InChIKey is XBOZMAVXIYHFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S/c7-5-6(3-1-2-4-6)9-12(10,11)8-5/h9H,1-4H2,(H2,7,8).
What are the key properties of 2,2-dioxo-2λ6-thia-1,3-diazaspiro[4.4]non-3-en-4-amine?
2,2-dioxo-2λ6-thia-1,3-diazaspiro[4.4]non-3-en-4-amine has a molecular weight of 189.24 g/mol, XLogP of -0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioxo-2λ6-thia-1,3-diazaspiro[4.4]non-3-en-4-amine is sourced from PubChem (CID 91811072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).