(5R)-N,N-diethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide

C10H14N2O2S — CID 67837782

IUPAC(5R)-N,N-diethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide
SMILESCCN(CC)C(=O)C1=CS[C@@H]2CC(=O)N12
InChIInChI=1S/C10H14N2O2S/c1-3-11(4-2)10(14)7-6-15-9-5-8(13)12(7)9/h6,9H,3-5H2,1-2H3/t9-/m1/s1
InChIKeyIIEMKMZOUUETEZ-SECBINFHSA-N
MW226.30 g/mol
LogP1.00
Rot. Bonds3

About (5R)-N,N-diethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide

(5R)-N,N-diethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide (PubChem CID 67837782) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is (5R)-N,N-diethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide.

Molecular Properties

Compound Name(5R)-N,N-diethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide
PubChem CID67837782
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name(5R)-N,N-diethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide
SMILESCCN(CC)C(=O)C1=CS[C@@H]2CC(=O)N12
InChIInChI=1S/C10H14N2O2S/c1-3-11(4-2)10(14)7-6-15-9-5-8(13)12(7)9/h6,9H,3-5H2,1-2H3/t9-/m1/s1
InChIKeyIIEMKMZOUUETEZ-SECBINFHSA-N
XLogP1.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5R)-N,N-diethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-N,N-diethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide?
The IUPAC name of (5R)-N,N-diethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide (CID 67837782) is (5R)-N,N-diethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide.
What is the SMILES notation for (5R)-N,N-diethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide?
The canonical SMILES for (5R)-N,N-diethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide is CCN(CC)C(=O)C1=CS[C@@H]2CC(=O)N12.
What is the InChIKey of (5R)-N,N-diethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide?
The InChIKey is IIEMKMZOUUETEZ-SECBINFHSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-3-11(4-2)10(14)7-6-15-9-5-8(13)12(7)9/h6,9H,3-5H2,1-2H3/t9-/m1/s1.
What are the key properties of (5R)-N,N-diethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide?
(5R)-N,N-diethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N,N-diethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide is sourced from PubChem (CID 67837782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).