2-amino-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-1-en-4-one

C6H9N3O3S — CID 82996602

IUPAC2-amino-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESNC1=NC2(CCS(=O)(=O)C2)C(=O)N1
InChIInChI=1S/C6H9N3O3S/c7-5-8-4(10)6(9-5)1-2-13(11,12)3-6/h1-3H2,(H3,7,8,9,10)
InChIKeyNEVRFELUWLSCBU-UHFFFAOYSA-N
MW203.22 g/mol
LogP-2.01
Rot. Bonds

About 2-amino-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-1-en-4-one

2-amino-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-1-en-4-one (PubChem CID 82996602) has the molecular formula C6H9N3O3S and a molecular weight of 203.22 g/mol. Its IUPAC name is 2-amino-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-1-en-4-one.

Molecular Properties

Compound Name2-amino-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-1-en-4-one
PubChem CID82996602
Molecular FormulaC6H9N3O3S
Molecular Weight203.22 g/mol
Exact Mass203.04
IUPAC Name2-amino-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESNC1=NC2(CCS(=O)(=O)C2)C(=O)N1
InChIInChI=1S/C6H9N3O3S/c7-5-8-4(10)6(9-5)1-2-13(11,12)3-6/h1-3H2,(H3,7,8,9,10)
InChIKeyNEVRFELUWLSCBU-UHFFFAOYSA-N
XLogP-2.01
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 5-2.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-1-en-4-one?
The IUPAC name of 2-amino-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-1-en-4-one (CID 82996602) is 2-amino-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-1-en-4-one.
What is the SMILES notation for 2-amino-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-1-en-4-one?
The canonical SMILES for 2-amino-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-1-en-4-one is NC1=NC2(CCS(=O)(=O)C2)C(=O)N1.
What is the InChIKey of 2-amino-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-1-en-4-one?
The InChIKey is NEVRFELUWLSCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3S/c7-5-8-4(10)6(9-5)1-2-13(11,12)3-6/h1-3H2,(H3,7,8,9,10).
What are the key properties of 2-amino-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-1-en-4-one?
2-amino-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-1-en-4-one has a molecular weight of 203.22 g/mol, XLogP of -2.01, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-1-en-4-one is sourced from PubChem (CID 82996602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).