(5S)-3-methoxy-4-thia-1-azabicyclo[3.2.0]heptan-7-one

C6H9NO2S — CID 54242241

IUPAC(5S)-3-methoxy-4-thia-1-azabicyclo[3.2.0]heptan-7-one
SMILESCOC1CN2C(=O)C[C@@H]2S1
InChIInChI=1S/C6H9NO2S/c1-9-6-3-7-4(8)2-5(7)10-6/h5-6H,2-3H2,1H3/t5-,6?/m0/s1
InChIKeyQQUQUIHDTXESHI-ZBHICJROSA-N
MW159.21 g/mol
LogP0.26
Rot. Bonds1

About (5S)-3-methoxy-4-thia-1-azabicyclo[3.2.0]heptan-7-one

(5S)-3-methoxy-4-thia-1-azabicyclo[3.2.0]heptan-7-one (PubChem CID 54242241) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is (5S)-3-methoxy-4-thia-1-azabicyclo[3.2.0]heptan-7-one.

Molecular Properties

Compound Name(5S)-3-methoxy-4-thia-1-azabicyclo[3.2.0]heptan-7-one
PubChem CID54242241
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name(5S)-3-methoxy-4-thia-1-azabicyclo[3.2.0]heptan-7-one
SMILESCOC1CN2C(=O)C[C@@H]2S1
InChIInChI=1S/C6H9NO2S/c1-9-6-3-7-4(8)2-5(7)10-6/h5-6H,2-3H2,1H3/t5-,6?/m0/s1
InChIKeyQQUQUIHDTXESHI-ZBHICJROSA-N
XLogP0.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-methoxy-4-thia-1-azabicyclo[3.2.0]heptan-7-one?
The IUPAC name of (5S)-3-methoxy-4-thia-1-azabicyclo[3.2.0]heptan-7-one (CID 54242241) is (5S)-3-methoxy-4-thia-1-azabicyclo[3.2.0]heptan-7-one.
What is the SMILES notation for (5S)-3-methoxy-4-thia-1-azabicyclo[3.2.0]heptan-7-one?
The canonical SMILES for (5S)-3-methoxy-4-thia-1-azabicyclo[3.2.0]heptan-7-one is COC1CN2C(=O)C[C@@H]2S1.
What is the InChIKey of (5S)-3-methoxy-4-thia-1-azabicyclo[3.2.0]heptan-7-one?
The InChIKey is QQUQUIHDTXESHI-ZBHICJROSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-9-6-3-7-4(8)2-5(7)10-6/h5-6H,2-3H2,1H3/t5-,6?/m0/s1.
What are the key properties of (5S)-3-methoxy-4-thia-1-azabicyclo[3.2.0]heptan-7-one?
(5S)-3-methoxy-4-thia-1-azabicyclo[3.2.0]heptan-7-one has a molecular weight of 159.21 g/mol, XLogP of 0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-methoxy-4-thia-1-azabicyclo[3.2.0]heptan-7-one is sourced from PubChem (CID 54242241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).