(3S)-3-aminothiolan-2-one;hydrochloride

C4H8ClNOS — CID 10313226

IUPAC(3S)-3-aminothiolan-2-one;hydrochloride
SMILESCl.N[C@H]1CCSC1=O
InChIInChI=1S/C4H7NOS.ClH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1H/t3-;/m0./s1
InChIKeyZSEGSUBKDDEALH-DFWYDOINSA-N
MW153.63 g/mol
LogP0.40
Rot. Bonds

About (3S)-3-aminothiolan-2-one;hydrochloride

(3S)-3-aminothiolan-2-one;hydrochloride (PubChem CID 10313226) has the molecular formula C4H8ClNOS and a molecular weight of 153.63 g/mol. Its IUPAC name is (3S)-3-aminothiolan-2-one;hydrochloride.

Molecular Properties

Compound Name(3S)-3-aminothiolan-2-one;hydrochloride
PubChem CID10313226
Molecular FormulaC4H8ClNOS
Molecular Weight153.63 g/mol
Exact Mass153.00
IUPAC Name(3S)-3-aminothiolan-2-one;hydrochloride
SMILESCl.N[C@H]1CCSC1=O
InChIInChI=1S/C4H7NOS.ClH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1H/t3-;/m0./s1
InChIKeyZSEGSUBKDDEALH-DFWYDOINSA-N
XLogP0.40
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.63
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-3-aminothiolan-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-aminothiolan-2-one;hydrochloride?
The IUPAC name of (3S)-3-aminothiolan-2-one;hydrochloride (CID 10313226) is (3S)-3-aminothiolan-2-one;hydrochloride.
What is the SMILES notation for (3S)-3-aminothiolan-2-one;hydrochloride?
The canonical SMILES for (3S)-3-aminothiolan-2-one;hydrochloride is Cl.N[C@H]1CCSC1=O.
What is the InChIKey of (3S)-3-aminothiolan-2-one;hydrochloride?
The InChIKey is ZSEGSUBKDDEALH-DFWYDOINSA-N. The full InChI is InChI=1S/C4H7NOS.ClH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1H/t3-;/m0./s1.
What are the key properties of (3S)-3-aminothiolan-2-one;hydrochloride?
(3S)-3-aminothiolan-2-one;hydrochloride has a molecular weight of 153.63 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-aminothiolan-2-one;hydrochloride is sourced from PubChem (CID 10313226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).