4-aminothiolan-3-one

C4H7NOS — CID 20528374

IUPAC4-aminothiolan-3-one
SMILESNC1CSCC1=O
InChIInChI=1S/C4H7NOS/c5-3-1-7-2-4(3)6/h3H,1-2,5H2
InChIKeyZPZCGXUJKYTBDW-UHFFFAOYSA-N
MW117.17 g/mol
LogP-0.37
Rot. Bonds

About 4-aminothiolan-3-one

4-aminothiolan-3-one (PubChem CID 20528374) has the molecular formula C4H7NOS and a molecular weight of 117.17 g/mol. Its IUPAC name is 4-aminothiolan-3-one.

Molecular Properties

Compound Name4-aminothiolan-3-one
PubChem CID20528374
Molecular FormulaC4H7NOS
Molecular Weight117.17 g/mol
Exact Mass117.02
IUPAC Name4-aminothiolan-3-one
SMILESNC1CSCC1=O
InChIInChI=1S/C4H7NOS/c5-3-1-7-2-4(3)6/h3H,1-2,5H2
InChIKeyZPZCGXUJKYTBDW-UHFFFAOYSA-N
XLogP-0.37
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-aminothiolan-3-one?
The IUPAC name of 4-aminothiolan-3-one (CID 20528374) is 4-aminothiolan-3-one.
What is the SMILES notation for 4-aminothiolan-3-one?
The canonical SMILES for 4-aminothiolan-3-one is NC1CSCC1=O.
What is the InChIKey of 4-aminothiolan-3-one?
The InChIKey is ZPZCGXUJKYTBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NOS/c5-3-1-7-2-4(3)6/h3H,1-2,5H2.
What are the key properties of 4-aminothiolan-3-one?
4-aminothiolan-3-one has a molecular weight of 117.17 g/mol, XLogP of -0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminothiolan-3-one is sourced from PubChem (CID 20528374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).