(6R)-5,5,8-trioxo-5λ6-thia-1-azabicyclo[4.2.0]oct-2-ene-4-carboxamide

C7H8N2O4S — CID 139788316

IUPAC(6R)-5,5,8-trioxo-5λ6-thia-1-azabicyclo[4.2.0]oct-2-ene-4-carboxamide
SMILESNC(=O)C1C=CN2C(=O)C[C@H]2S1(=O)=O
InChIInChI=1S/C7H8N2O4S/c8-7(11)4-1-2-9-5(10)3-6(9)14(4,12)13/h1-2,4,6H,3H2,(H2,8,11)/t4?,6-/m1/s1
InChIKeyAFIFYNCOSBJTHC-BAFYGKSASA-N
MW216.22 g/mol
LogP-1.66
Rot. Bonds1

About (6R)-5,5,8-trioxo-5λ6-thia-1-azabicyclo[4.2.0]oct-2-ene-4-carboxamide

(6R)-5,5,8-trioxo-5λ6-thia-1-azabicyclo[4.2.0]oct-2-ene-4-carboxamide (PubChem CID 139788316) has the molecular formula C7H8N2O4S and a molecular weight of 216.22 g/mol. Its IUPAC name is (6R)-5,5,8-trioxo-5λ6-thia-1-azabicyclo[4.2.0]oct-2-ene-4-carboxamide.

Molecular Properties

Compound Name(6R)-5,5,8-trioxo-5λ6-thia-1-azabicyclo[4.2.0]oct-2-ene-4-carboxamide
PubChem CID139788316
Molecular FormulaC7H8N2O4S
Molecular Weight216.22 g/mol
Exact Mass216.02
IUPAC Name(6R)-5,5,8-trioxo-5λ6-thia-1-azabicyclo[4.2.0]oct-2-ene-4-carboxamide
SMILESNC(=O)C1C=CN2C(=O)C[C@H]2S1(=O)=O
InChIInChI=1S/C7H8N2O4S/c8-7(11)4-1-2-9-5(10)3-6(9)14(4,12)13/h1-2,4,6H,3H2,(H2,8,11)/t4?,6-/m1/s1
InChIKeyAFIFYNCOSBJTHC-BAFYGKSASA-N
XLogP-1.66
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 5-1.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6R)-5,5,8-trioxo-5λ6-thia-1-azabicyclo[4.2.0]oct-2-ene-4-carboxamide with MolForge

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Related Compounds

7-oxo-1-azabicyclo[3.2.0]hept-2-ene-4-carboxamide
CID 175197598
(6S)-5,5,8-trioxo-5λ6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxamide
CID 54050684
[(6R)-5,5,8-trioxo-5λ6-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl acetate
CID 70487743
4-chloro-1-azabicyclo[3.2.0]hept-2-en-7-one
CID 175222359
[(6S)-5,5,8-trioxo-5λ6-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl] acetate
CID 18600664
(4S,6S)-4-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one
CID 54504629
4-oxoazetidine-1,2-dicarboxamide
CID 135154151
prop-2-enyl (6R)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-4-carboxylate
CID 174346682
1-methyl-4-oxo-2,3-dihydropyridine-3-carboxamide
CID 175819139
[(5S)-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]hept-2-en-3-yl] 5-oxopentanoate
CID 91313337
(2R,6S)-2,6-dimethyl-1,1-dioxothian-4-one
CID 94034660
1-methyl-5-oxopyrrolidine-3-carboxamide
CID 541476

Frequently Asked Questions

What is the IUPAC name of (6R)-5,5,8-trioxo-5λ6-thia-1-azabicyclo[4.2.0]oct-2-ene-4-carboxamide?
The IUPAC name of (6R)-5,5,8-trioxo-5λ6-thia-1-azabicyclo[4.2.0]oct-2-ene-4-carboxamide (CID 139788316) is (6R)-5,5,8-trioxo-5λ6-thia-1-azabicyclo[4.2.0]oct-2-ene-4-carboxamide.
What is the SMILES notation for (6R)-5,5,8-trioxo-5λ6-thia-1-azabicyclo[4.2.0]oct-2-ene-4-carboxamide?
The canonical SMILES for (6R)-5,5,8-trioxo-5λ6-thia-1-azabicyclo[4.2.0]oct-2-ene-4-carboxamide is NC(=O)C1C=CN2C(=O)C[C@H]2S1(=O)=O.
What is the InChIKey of (6R)-5,5,8-trioxo-5λ6-thia-1-azabicyclo[4.2.0]oct-2-ene-4-carboxamide?
The InChIKey is AFIFYNCOSBJTHC-BAFYGKSASA-N. The full InChI is InChI=1S/C7H8N2O4S/c8-7(11)4-1-2-9-5(10)3-6(9)14(4,12)13/h1-2,4,6H,3H2,(H2,8,11)/t4?,6-/m1/s1.
What are the key properties of (6R)-5,5,8-trioxo-5λ6-thia-1-azabicyclo[4.2.0]oct-2-ene-4-carboxamide?
(6R)-5,5,8-trioxo-5λ6-thia-1-azabicyclo[4.2.0]oct-2-ene-4-carboxamide has a molecular weight of 216.22 g/mol, XLogP of -1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-5,5,8-trioxo-5λ6-thia-1-azabicyclo[4.2.0]oct-2-ene-4-carboxamide is sourced from PubChem (CID 139788316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).