1-methylsulfonyl-3,6-dihydro-2H-pyridine

C6H11NO2S — CID 13042965

IUPAC1-methylsulfonyl-3,6-dihydro-2H-pyridine
SMILESCS(=O)(=O)N1CC=CCC1
InChIInChI=1S/C6H11NO2S/c1-10(8,9)7-5-3-2-4-6-7/h2-3H,4-6H2,1H3
InChIKeyKKBIAIYZUNQLQH-UHFFFAOYSA-N
MW161.23 g/mol
LogP0.21
Rot. Bonds1

About 1-methylsulfonyl-3,6-dihydro-2H-pyridine

1-methylsulfonyl-3,6-dihydro-2H-pyridine (PubChem CID 13042965) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 1-methylsulfonyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methylsulfonyl-3,6-dihydro-2H-pyridine
PubChem CID13042965
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name1-methylsulfonyl-3,6-dihydro-2H-pyridine
SMILESCS(=O)(=O)N1CC=CCC1
InChIInChI=1S/C6H11NO2S/c1-10(8,9)7-5-3-2-4-6-7/h2-3H,4-6H2,1H3
InChIKeyKKBIAIYZUNQLQH-UHFFFAOYSA-N
XLogP0.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methylsulfonyl-3,6-dihydro-2H-pyridine (CID 13042965) is 1-methylsulfonyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methylsulfonyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methylsulfonyl-3,6-dihydro-2H-pyridine is CS(=O)(=O)N1CC=CCC1.
What is the InChIKey of 1-methylsulfonyl-3,6-dihydro-2H-pyridine?
The InChIKey is KKBIAIYZUNQLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-10(8,9)7-5-3-2-4-6-7/h2-3H,4-6H2,1H3.
What are the key properties of 1-methylsulfonyl-3,6-dihydro-2H-pyridine?
1-methylsulfonyl-3,6-dihydro-2H-pyridine has a molecular weight of 161.23 g/mol, XLogP of 0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 13042965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).