5-(aminomethyl)-1,3-oxazolidine-2-thione

C4H8N2OS — CID 55289445

IUPAC5-(aminomethyl)-1,3-oxazolidine-2-thione
SMILESNCC1CNC(=S)O1
InChIInChI=1S/C4H8N2OS/c5-1-3-2-6-4(8)7-3/h3H,1-2,5H2,(H,6,8)
InChIKeyBZQXKJYBMYZHBN-UHFFFAOYSA-N
MW132.19 g/mol
LogP-0.78
Rot. Bonds1

About 5-(aminomethyl)-1,3-oxazolidine-2-thione

5-(aminomethyl)-1,3-oxazolidine-2-thione (PubChem CID 55289445) has the molecular formula C4H8N2OS and a molecular weight of 132.19 g/mol. Its IUPAC name is 5-(aminomethyl)-1,3-oxazolidine-2-thione.

Molecular Properties

Compound Name5-(aminomethyl)-1,3-oxazolidine-2-thione
PubChem CID55289445
Molecular FormulaC4H8N2OS
Molecular Weight132.19 g/mol
Exact Mass132.04
IUPAC Name5-(aminomethyl)-1,3-oxazolidine-2-thione
SMILESNCC1CNC(=S)O1
InChIInChI=1S/C4H8N2OS/c5-1-3-2-6-4(8)7-3/h3H,1-2,5H2,(H,6,8)
InChIKeyBZQXKJYBMYZHBN-UHFFFAOYSA-N
XLogP-0.78
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.19
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1,3-oxazolidine-2-thione?
The IUPAC name of 5-(aminomethyl)-1,3-oxazolidine-2-thione (CID 55289445) is 5-(aminomethyl)-1,3-oxazolidine-2-thione.
What is the SMILES notation for 5-(aminomethyl)-1,3-oxazolidine-2-thione?
The canonical SMILES for 5-(aminomethyl)-1,3-oxazolidine-2-thione is NCC1CNC(=S)O1.
What is the InChIKey of 5-(aminomethyl)-1,3-oxazolidine-2-thione?
The InChIKey is BZQXKJYBMYZHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2OS/c5-1-3-2-6-4(8)7-3/h3H,1-2,5H2,(H,6,8).
What are the key properties of 5-(aminomethyl)-1,3-oxazolidine-2-thione?
5-(aminomethyl)-1,3-oxazolidine-2-thione has a molecular weight of 132.19 g/mol, XLogP of -0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1,3-oxazolidine-2-thione is sourced from PubChem (CID 55289445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).