CID 163486287

CH5AlNO2S — CID 163486287

IUPAC—
SMILESCS(=O)(=O)N[AlH]
InChIInChI=1S/CH4NO2S.Al.H/c1-5(2,3)4;;/h1H3,(H-,2,3,4);;/q-1;+1;
InChIKeyOPXDYDPDVJUGBT-UHFFFAOYSA-N
MW122.10 g/mol
LogP-1.65
Rot. Bonds1

About CID 163486287

CID 163486287 (PubChem CID 163486287) has the molecular formula CH5AlNO2S and a molecular weight of 122.10 g/mol.

Molecular Properties

Compound NameCID 163486287
PubChem CID163486287
Molecular FormulaCH5AlNO2S
Molecular Weight122.10 g/mol
Exact Mass121.99
IUPAC Name—
SMILESCS(=O)(=O)N[AlH]
InChIInChI=1S/CH4NO2S.Al.H/c1-5(2,3)4;;/h1H3,(H-,2,3,4);;/q-1;+1;
InChIKeyOPXDYDPDVJUGBT-UHFFFAOYSA-N
XLogP-1.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.10
LogP ≤ 5-1.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze CID 163486287 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 163486287?
The IUPAC name of CID 163486287 (CID 163486287) is not available.
What is the SMILES notation for CID 163486287?
The canonical SMILES for CID 163486287 is CS(=O)(=O)N[AlH].
What is the InChIKey of CID 163486287?
The InChIKey is OPXDYDPDVJUGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4NO2S.Al.H/c1-5(2,3)4;;/h1H3,(H-,2,3,4);;/q-1;+1;.
What are the key properties of CID 163486287?
CID 163486287 has a molecular weight of 122.10 g/mol, XLogP of -1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163486287 is sourced from PubChem (CID 163486287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).