CID 58734850

C3H5NO2S — CID 58734850

IUPAC—
SMILES[CH]N([CH])S(C)(=O)=O
InChIInChI=1S/C3H5NO2S/c1-4(2)7(3,5)6/h1-2H,3H3
InChIKeyXIKPRNYDEIRPRF-UHFFFAOYSA-N
MW119.14 g/mol
LogP-0.41
Rot. Bonds1

About CID 58734850

CID 58734850 (PubChem CID 58734850) has the molecular formula C3H5NO2S and a molecular weight of 119.14 g/mol.

Molecular Properties

Compound NameCID 58734850
PubChem CID58734850
Molecular FormulaC3H5NO2S
Molecular Weight119.14 g/mol
Exact Mass119.00
IUPAC Name—
SMILES[CH]N([CH])S(C)(=O)=O
InChIInChI=1S/C3H5NO2S/c1-4(2)7(3,5)6/h1-2H,3H3
InChIKeyXIKPRNYDEIRPRF-UHFFFAOYSA-N
XLogP-0.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.14
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 58734850 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 CID 58734850?
The IUPAC name of CID 58734850 (CID 58734850) is not available.
What is the SMILES notation for CID 58734850?
The canonical SMILES for CID 58734850 is [CH]N([CH])S(C)(=O)=O.
What is the InChIKey of CID 58734850?
The InChIKey is XIKPRNYDEIRPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO2S/c1-4(2)7(3,5)6/h1-2H,3H3.
What are the key properties of CID 58734850?
CID 58734850 has a molecular weight of 119.14 g/mol, XLogP of -0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58734850 is sourced from PubChem (CID 58734850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).