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

C7H13NO2S — CID 20828170

IUPAC1-ethylsulfonyl-3,6-dihydro-2H-pyridine
SMILESCCS(=O)(=O)N1CC=CCC1
InChIInChI=1S/C7H13NO2S/c1-2-11(9,10)8-6-4-3-5-7-8/h3-4H,2,5-7H2,1H3
InChIKeyDTURJNRMNHSECK-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.60
Rot. Bonds2

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

1-ethylsulfonyl-3,6-dihydro-2H-pyridine (PubChem CID 20828170) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 1-ethylsulfonyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-ethylsulfonyl-3,6-dihydro-2H-pyridine
PubChem CID20828170
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name1-ethylsulfonyl-3,6-dihydro-2H-pyridine
SMILESCCS(=O)(=O)N1CC=CCC1
InChIInChI=1S/C7H13NO2S/c1-2-11(9,10)8-6-4-3-5-7-8/h3-4H,2,5-7H2,1H3
InChIKeyDTURJNRMNHSECK-UHFFFAOYSA-N
XLogP0.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.60
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-ethylsulfonyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-ethylsulfonyl-3,6-dihydro-2H-pyridine (CID 20828170) is 1-ethylsulfonyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-ethylsulfonyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-ethylsulfonyl-3,6-dihydro-2H-pyridine is CCS(=O)(=O)N1CC=CCC1.
What is the InChIKey of 1-ethylsulfonyl-3,6-dihydro-2H-pyridine?
The InChIKey is DTURJNRMNHSECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-2-11(9,10)8-6-4-3-5-7-8/h3-4H,2,5-7H2,1H3.
What are the key properties of 1-ethylsulfonyl-3,6-dihydro-2H-pyridine?
1-ethylsulfonyl-3,6-dihydro-2H-pyridine has a molecular weight of 175.25 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 20828170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).