CID 163271848

C5H4NO2SSn — CID 163271848

IUPAC—
SMILESCOC(=O)c1ncc([Sn])s1
InChIInChI=1S/C5H4NO2S.Sn/c1-8-5(7)4-6-2-3-9-4;/h2H,1H3;
InChIKeyMLFPBUPMQLWPMP-UHFFFAOYSA-N
MW260.87 g/mol
LogP-0.28
Rot. Bonds1

About CID 163271848

CID 163271848 (PubChem CID 163271848) has the molecular formula C5H4NO2SSn and a molecular weight of 260.87 g/mol.

Molecular Properties

Compound NameCID 163271848
PubChem CID163271848
Molecular FormulaC5H4NO2SSn
Molecular Weight260.87 g/mol
Exact Mass261.90
IUPAC Name—
SMILESCOC(=O)c1ncc([Sn])s1
InChIInChI=1S/C5H4NO2S.Sn/c1-8-5(7)4-6-2-3-9-4;/h2H,1H3;
InChIKeyMLFPBUPMQLWPMP-UHFFFAOYSA-N
XLogP-0.28
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.87
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 163271848?
The IUPAC name of CID 163271848 (CID 163271848) is not available.
What is the SMILES notation for CID 163271848?
The canonical SMILES for CID 163271848 is COC(=O)c1ncc([Sn])s1.
What is the InChIKey of CID 163271848?
The InChIKey is MLFPBUPMQLWPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4NO2S.Sn/c1-8-5(7)4-6-2-3-9-4;/h2H,1H3;.
What are the key properties of CID 163271848?
CID 163271848 has a molecular weight of 260.87 g/mol, XLogP of -0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163271848 is sourced from PubChem (CID 163271848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).