ethane;5-methylsulfonylfuro[2,3-b]pyridine

C10H13NO3S — CID 156875738

IUPACethane;5-methylsulfonylfuro[2,3-b]pyridine
SMILESCC.CS(=O)(=O)c1cnc2occc2c1
InChIInChI=1S/C8H7NO3S.C2H6/c1-13(10,11)7-4-6-2-3-12-8(6)9-5-7;1-2/h2-5H,1H3;1-2H3
InChIKeyKHPSNPHASMBACT-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.26
Rot. Bonds1

About ethane;5-methylsulfonylfuro[2,3-b]pyridine

ethane;5-methylsulfonylfuro[2,3-b]pyridine (PubChem CID 156875738) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is ethane;5-methylsulfonylfuro[2,3-b]pyridine.

Molecular Properties

Compound Nameethane;5-methylsulfonylfuro[2,3-b]pyridine
PubChem CID156875738
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Nameethane;5-methylsulfonylfuro[2,3-b]pyridine
SMILESCC.CS(=O)(=O)c1cnc2occc2c1
InChIInChI=1S/C8H7NO3S.C2H6/c1-13(10,11)7-4-6-2-3-12-8(6)9-5-7;1-2/h2-5H,1H3;1-2H3
InChIKeyKHPSNPHASMBACT-UHFFFAOYSA-N
XLogP2.26
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;5-methylsulfonylfuro[2,3-b]pyridine 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 ethane;5-methylsulfonylfuro[2,3-b]pyridine?
The IUPAC name of ethane;5-methylsulfonylfuro[2,3-b]pyridine (CID 156875738) is ethane;5-methylsulfonylfuro[2,3-b]pyridine.
What is the SMILES notation for ethane;5-methylsulfonylfuro[2,3-b]pyridine?
The canonical SMILES for ethane;5-methylsulfonylfuro[2,3-b]pyridine is CC.CS(=O)(=O)c1cnc2occc2c1.
What is the InChIKey of ethane;5-methylsulfonylfuro[2,3-b]pyridine?
The InChIKey is KHPSNPHASMBACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3S.C2H6/c1-13(10,11)7-4-6-2-3-12-8(6)9-5-7;1-2/h2-5H,1H3;1-2H3.
What are the key properties of ethane;5-methylsulfonylfuro[2,3-b]pyridine?
ethane;5-methylsulfonylfuro[2,3-b]pyridine has a molecular weight of 227.28 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methylsulfonylfuro[2,3-b]pyridine is sourced from PubChem (CID 156875738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).