(5S)-6-ethyl-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one

C7H9NOS — CID 22837783

IUPAC(5S)-6-ethyl-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one
SMILESCCC1C(=O)N2C=CS[C@@H]12
InChIInChI=1S/C7H9NOS/c1-2-5-6(9)8-3-4-10-7(5)8/h3-5,7H,2H2,1H3/t5?,7-/m0/s1
InChIKeyXVLNNVCGPOQGJH-MSZQBOFLSA-N
MW155.22 g/mol
LogP1.40
Rot. Bonds1

About (5S)-6-ethyl-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one

(5S)-6-ethyl-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one (PubChem CID 22837783) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is (5S)-6-ethyl-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one.

Molecular Properties

Compound Name(5S)-6-ethyl-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one
PubChem CID22837783
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name(5S)-6-ethyl-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one
SMILESCCC1C(=O)N2C=CS[C@@H]12
InChIInChI=1S/C7H9NOS/c1-2-5-6(9)8-3-4-10-7(5)8/h3-5,7H,2H2,1H3/t5?,7-/m0/s1
InChIKeyXVLNNVCGPOQGJH-MSZQBOFLSA-N
XLogP1.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-6-ethyl-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one?
The IUPAC name of (5S)-6-ethyl-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one (CID 22837783) is (5S)-6-ethyl-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one.
What is the SMILES notation for (5S)-6-ethyl-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one?
The canonical SMILES for (5S)-6-ethyl-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one is CCC1C(=O)N2C=CS[C@@H]12.
What is the InChIKey of (5S)-6-ethyl-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one?
The InChIKey is XVLNNVCGPOQGJH-MSZQBOFLSA-N. The full InChI is InChI=1S/C7H9NOS/c1-2-5-6(9)8-3-4-10-7(5)8/h3-5,7H,2H2,1H3/t5?,7-/m0/s1.
What are the key properties of (5S)-6-ethyl-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one?
(5S)-6-ethyl-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one has a molecular weight of 155.22 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6-ethyl-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one is sourced from PubChem (CID 22837783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).