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

C10H14N2O2S — CID 67837937

IUPAC(5R)-N-tert-butyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide
SMILESCC(C)(C)NC(=O)C1=CS[C@@H]2CC(=O)N12
InChIInChI=1S/C10H14N2O2S/c1-10(2,3)11-9(14)6-5-15-8-4-7(13)12(6)8/h5,8H,4H2,1-3H3,(H,11,14)/t8-/m1/s1
InChIKeyTUOGGARUHUOUEG-MRVPVSSYSA-N
MW226.30 g/mol
LogP1.05
Rot. Bonds1

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

(5R)-N-tert-butyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide (PubChem CID 67837937) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is (5R)-N-tert-butyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide.

Molecular Properties

Compound Name(5R)-N-tert-butyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide
PubChem CID67837937
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name(5R)-N-tert-butyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide
SMILESCC(C)(C)NC(=O)C1=CS[C@@H]2CC(=O)N12
InChIInChI=1S/C10H14N2O2S/c1-10(2,3)11-9(14)6-5-15-8-4-7(13)12(6)8/h5,8H,4H2,1-3H3,(H,11,14)/t8-/m1/s1
InChIKeyTUOGGARUHUOUEG-MRVPVSSYSA-N
XLogP1.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-tert-butyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide?
The IUPAC name of (5R)-N-tert-butyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide (CID 67837937) is (5R)-N-tert-butyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide.
What is the SMILES notation for (5R)-N-tert-butyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide?
The canonical SMILES for (5R)-N-tert-butyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide is CC(C)(C)NC(=O)C1=CS[C@@H]2CC(=O)N12.
What is the InChIKey of (5R)-N-tert-butyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide?
The InChIKey is TUOGGARUHUOUEG-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-10(2,3)11-9(14)6-5-15-8-4-7(13)12(6)8/h5,8H,4H2,1-3H3,(H,11,14)/t8-/m1/s1.
What are the key properties of (5R)-N-tert-butyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide?
(5R)-N-tert-butyl-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 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-tert-butyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide is sourced from PubChem (CID 67837937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).