CID 134792347

C14H18N2O3S — CID 134792347

IUPAC—
SMILESCC(=O)N1CC2(Cc3ccccc31)CN([S+](C)(=O)[O-])C2
InChIInChI=1S/C14H18N2O3S/c1-11(17)16-10-14(8-15(9-14)20(2,18)19)7-12-5-3-4-6-13(12)16/h3-6H,7-10H2,1-2H3
InChIKeyIFRGVNJNIBJAOS-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.07
Rot. Bonds1

About CID 134792347

CID 134792347 (PubChem CID 134792347) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol.

Molecular Properties

Compound NameCID 134792347
PubChem CID134792347
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name—
SMILESCC(=O)N1CC2(Cc3ccccc31)CN([S+](C)(=O)[O-])C2
InChIInChI=1S/C14H18N2O3S/c1-11(17)16-10-14(8-15(9-14)20(2,18)19)7-12-5-3-4-6-13(12)16/h3-6H,7-10H2,1-2H3
InChIKeyIFRGVNJNIBJAOS-UHFFFAOYSA-N
XLogP1.07
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 134792347 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 134792347?
The IUPAC name of CID 134792347 (CID 134792347) is not available.
What is the SMILES notation for CID 134792347?
The canonical SMILES for CID 134792347 is CC(=O)N1CC2(Cc3ccccc31)CN([S+](C)(=O)[O-])C2.
What is the InChIKey of CID 134792347?
The InChIKey is IFRGVNJNIBJAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-11(17)16-10-14(8-15(9-14)20(2,18)19)7-12-5-3-4-6-13(12)16/h3-6H,7-10H2,1-2H3.
What are the key properties of CID 134792347?
CID 134792347 has a molecular weight of 294.38 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134792347 is sourced from PubChem (CID 134792347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).