CID 135993226

C4H8NO2S+ — CID 135993226

IUPAC—
SMILESO=S1(=O)[CH+]CNCC1
InChIInChI=1S/C4H8NO2S/c6-8(7)3-1-5-2-4-8/h3,5H,1-2,4H2/q+1
InChIKeyRNTMSHZYBPVQEX-UHFFFAOYSA-N
MW134.18 g/mol
LogP-0.83
Rot. Bonds

About CID 135993226

CID 135993226 (PubChem CID 135993226) has the molecular formula C4H8NO2S+ and a molecular weight of 134.18 g/mol.

Molecular Properties

Compound NameCID 135993226
PubChem CID135993226
Molecular FormulaC4H8NO2S+
Molecular Weight134.18 g/mol
Exact Mass134.03
IUPAC Name—
SMILESO=S1(=O)[CH+]CNCC1
InChIInChI=1S/C4H8NO2S/c6-8(7)3-1-5-2-4-8/h3,5H,1-2,4H2/q+1
InChIKeyRNTMSHZYBPVQEX-UHFFFAOYSA-N
XLogP-0.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 135993226 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 135993226?
The IUPAC name of CID 135993226 (CID 135993226) is not available.
What is the SMILES notation for CID 135993226?
The canonical SMILES for CID 135993226 is O=S1(=O)[CH+]CNCC1.
What is the InChIKey of CID 135993226?
The InChIKey is RNTMSHZYBPVQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8NO2S/c6-8(7)3-1-5-2-4-8/h3,5H,1-2,4H2/q+1.
What are the key properties of CID 135993226?
CID 135993226 has a molecular weight of 134.18 g/mol, XLogP of -0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135993226 is sourced from PubChem (CID 135993226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).