5-(aminomethyl)thiolan-3-one

C5H9NOS — CID 151948394

IUPAC5-(aminomethyl)thiolan-3-one
SMILESNCC1CC(=O)CS1
InChIInChI=1S/C5H9NOS/c6-2-5-1-4(7)3-8-5/h5H,1-3,6H2
InChIKeyTWCWKHYXOIFRIY-UHFFFAOYSA-N
MW131.20 g/mol
LogP0.02
Rot. Bonds1

About 5-(aminomethyl)thiolan-3-one

5-(aminomethyl)thiolan-3-one (PubChem CID 151948394) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is 5-(aminomethyl)thiolan-3-one.

Molecular Properties

Compound Name5-(aminomethyl)thiolan-3-one
PubChem CID151948394
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC Name5-(aminomethyl)thiolan-3-one
SMILESNCC1CC(=O)CS1
InChIInChI=1S/C5H9NOS/c6-2-5-1-4(7)3-8-5/h5H,1-3,6H2
InChIKeyTWCWKHYXOIFRIY-UHFFFAOYSA-N
XLogP0.02
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)thiolan-3-one?
The IUPAC name of 5-(aminomethyl)thiolan-3-one (CID 151948394) is 5-(aminomethyl)thiolan-3-one.
What is the SMILES notation for 5-(aminomethyl)thiolan-3-one?
The canonical SMILES for 5-(aminomethyl)thiolan-3-one is NCC1CC(=O)CS1.
What is the InChIKey of 5-(aminomethyl)thiolan-3-one?
The InChIKey is TWCWKHYXOIFRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS/c6-2-5-1-4(7)3-8-5/h5H,1-3,6H2.
What are the key properties of 5-(aminomethyl)thiolan-3-one?
5-(aminomethyl)thiolan-3-one has a molecular weight of 131.20 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)thiolan-3-one is sourced from PubChem (CID 151948394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).