1-ethylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine

C8H15NO2S — CID 115766990

IUPAC1-ethylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine
SMILESCCS(=O)(=O)N1CC=C(C)CC1
InChIInChI=1S/C8H15NO2S/c1-3-12(10,11)9-6-4-8(2)5-7-9/h4H,3,5-7H2,1-2H3
InChIKeyRHOIHRYHTJOJIF-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.99
Rot. Bonds2

About 1-ethylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine

1-ethylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine (PubChem CID 115766990) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-ethylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine
PubChem CID115766990
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name1-ethylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine
SMILESCCS(=O)(=O)N1CC=C(C)CC1
InChIInChI=1S/C8H15NO2S/c1-3-12(10,11)9-6-4-8(2)5-7-9/h4H,3,5-7H2,1-2H3
InChIKeyRHOIHRYHTJOJIF-UHFFFAOYSA-N
XLogP0.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethylsulfonyl-4-methyl-3,6-dihydro-2H-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 1-ethylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-ethylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine (CID 115766990) is 1-ethylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-ethylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-ethylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine is CCS(=O)(=O)N1CC=C(C)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is RHOIHRYHTJOJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-3-12(10,11)9-6-4-8(2)5-7-9/h4H,3,5-7H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine?
1-ethylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 189.28 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 115766990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).