(3R)-3-aminothiolan-2-one

C4H7NOS — CID 7057932

IUPAC(3R)-3-aminothiolan-2-one
SMILESN[C@@H]1CCSC1=O
InChIInChI=1S/C4H7NOS/c5-3-1-2-7-4(3)6/h3H,1-2,5H2/t3-/m1/s1
InChIKeyKIWQWJKWBHZMDT-GSVOUGTGSA-N
MW117.17 g/mol
LogP-0.02
Rot. Bonds

About (3R)-3-aminothiolan-2-one

(3R)-3-aminothiolan-2-one (PubChem CID 7057932) has the molecular formula C4H7NOS and a molecular weight of 117.17 g/mol. Its IUPAC name is (3R)-3-aminothiolan-2-one.

Molecular Properties

Compound Name(3R)-3-aminothiolan-2-one
PubChem CID7057932
Molecular FormulaC4H7NOS
Molecular Weight117.17 g/mol
Exact Mass117.02
IUPAC Name(3R)-3-aminothiolan-2-one
SMILESN[C@@H]1CCSC1=O
InChIInChI=1S/C4H7NOS/c5-3-1-2-7-4(3)6/h3H,1-2,5H2/t3-/m1/s1
InChIKeyKIWQWJKWBHZMDT-GSVOUGTGSA-N
XLogP-0.02
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 ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-aminothiolan-2-one?
The IUPAC name of (3R)-3-aminothiolan-2-one (CID 7057932) is (3R)-3-aminothiolan-2-one.
What is the SMILES notation for (3R)-3-aminothiolan-2-one?
The canonical SMILES for (3R)-3-aminothiolan-2-one is N[C@@H]1CCSC1=O.
What is the InChIKey of (3R)-3-aminothiolan-2-one?
The InChIKey is KIWQWJKWBHZMDT-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H7NOS/c5-3-1-2-7-4(3)6/h3H,1-2,5H2/t3-/m1/s1.
What are the key properties of (3R)-3-aminothiolan-2-one?
(3R)-3-aminothiolan-2-one has a molecular weight of 117.17 g/mol, XLogP of -0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-aminothiolan-2-one is sourced from PubChem (CID 7057932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).