N-[(6R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]formamide

C7H9N3O2S — CID 88597384

IUPACN-[(6R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]formamide
SMILESNC1(NC=O)C(=O)N2C=CCS[C@@H]21
InChIInChI=1S/C7H9N3O2S/c8-7(9-4-11)5(12)10-2-1-3-13-6(7)10/h1-2,4,6H,3,8H2,(H,9,11)/t6-,7?/m1/s1
InChIKeySPIXGHJXOVJUBX-ULUSZKPHSA-N
MW199.24 g/mol
LogP-1.18
Rot. Bonds2

About N-[(6R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]formamide

N-[(6R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]formamide (PubChem CID 88597384) has the molecular formula C7H9N3O2S and a molecular weight of 199.24 g/mol. Its IUPAC name is N-[(6R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]formamide.

Molecular Properties

Compound NameN-[(6R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]formamide
PubChem CID88597384
Molecular FormulaC7H9N3O2S
Molecular Weight199.24 g/mol
Exact Mass199.04
IUPAC NameN-[(6R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]formamide
SMILESNC1(NC=O)C(=O)N2C=CCS[C@@H]21
InChIInChI=1S/C7H9N3O2S/c8-7(9-4-11)5(12)10-2-1-3-13-6(7)10/h1-2,4,6H,3,8H2,(H,9,11)/t6-,7?/m1/s1
InChIKeySPIXGHJXOVJUBX-ULUSZKPHSA-N
XLogP-1.18
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]formamide?
The IUPAC name of N-[(6R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]formamide (CID 88597384) is N-[(6R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]formamide.
What is the SMILES notation for N-[(6R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]formamide?
The canonical SMILES for N-[(6R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]formamide is NC1(NC=O)C(=O)N2C=CCS[C@@H]21.
What is the InChIKey of N-[(6R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]formamide?
The InChIKey is SPIXGHJXOVJUBX-ULUSZKPHSA-N. The full InChI is InChI=1S/C7H9N3O2S/c8-7(9-4-11)5(12)10-2-1-3-13-6(7)10/h1-2,4,6H,3,8H2,(H,9,11)/t6-,7?/m1/s1.
What are the key properties of N-[(6R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]formamide?
N-[(6R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]formamide has a molecular weight of 199.24 g/mol, XLogP of -1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]formamide is sourced from PubChem (CID 88597384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).