(3S,5S)-3-azido-5-thiophen-2-yloxolan-2-one

C8H7N3O2S — CID 102451785

IUPAC(3S,5S)-3-azido-5-thiophen-2-yloxolan-2-one
SMILES[N-]=[N+]=N[C@H]1C[C@@H](c2cccs2)OC1=O
InChIInChI=1S/C8H7N3O2S/c9-11-10-5-4-6(13-8(5)12)7-2-1-3-14-7/h1-3,5-6H,4H2/t5-,6-/m0/s1
InChIKeyWQOFNSIFBKJNKE-WDSKDSINSA-N
MW209.23 g/mol
LogP2.41
Rot. Bonds2

About (3S,5S)-3-azido-5-thiophen-2-yloxolan-2-one

(3S,5S)-3-azido-5-thiophen-2-yloxolan-2-one (PubChem CID 102451785) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is (3S,5S)-3-azido-5-thiophen-2-yloxolan-2-one.

Molecular Properties

Compound Name(3S,5S)-3-azido-5-thiophen-2-yloxolan-2-one
PubChem CID102451785
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Name(3S,5S)-3-azido-5-thiophen-2-yloxolan-2-one
SMILES[N-]=[N+]=N[C@H]1C[C@@H](c2cccs2)OC1=O
InChIInChI=1S/C8H7N3O2S/c9-11-10-5-4-6(13-8(5)12)7-2-1-3-14-7/h1-3,5-6H,4H2/t5-,6-/m0/s1
InChIKeyWQOFNSIFBKJNKE-WDSKDSINSA-N
XLogP2.41
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-azido-5-thiophen-2-yloxolan-2-one?
The IUPAC name of (3S,5S)-3-azido-5-thiophen-2-yloxolan-2-one (CID 102451785) is (3S,5S)-3-azido-5-thiophen-2-yloxolan-2-one.
What is the SMILES notation for (3S,5S)-3-azido-5-thiophen-2-yloxolan-2-one?
The canonical SMILES for (3S,5S)-3-azido-5-thiophen-2-yloxolan-2-one is [N-]=[N+]=N[C@H]1C[C@@H](c2cccs2)OC1=O.
What is the InChIKey of (3S,5S)-3-azido-5-thiophen-2-yloxolan-2-one?
The InChIKey is WQOFNSIFBKJNKE-WDSKDSINSA-N. The full InChI is InChI=1S/C8H7N3O2S/c9-11-10-5-4-6(13-8(5)12)7-2-1-3-14-7/h1-3,5-6H,4H2/t5-,6-/m0/s1.
What are the key properties of (3S,5S)-3-azido-5-thiophen-2-yloxolan-2-one?
(3S,5S)-3-azido-5-thiophen-2-yloxolan-2-one has a molecular weight of 209.23 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-azido-5-thiophen-2-yloxolan-2-one is sourced from PubChem (CID 102451785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).