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

C6H10BrNO2S — CID 131154717

IUPAC5-bromo-1-methylsulfonyl-3,6-dihydro-2H-pyridine
SMILESCS(=O)(=O)N1CCC=C(Br)C1
InChIInChI=1S/C6H10BrNO2S/c1-11(9,10)8-4-2-3-6(7)5-8/h3H,2,4-5H2,1H3
InChIKeyKRHWTFKLOYTBNL-UHFFFAOYSA-N
MW240.12 g/mol
LogP0.93
Rot. Bonds1

About 5-bromo-1-methylsulfonyl-3,6-dihydro-2H-pyridine

5-bromo-1-methylsulfonyl-3,6-dihydro-2H-pyridine (PubChem CID 131154717) has the molecular formula C6H10BrNO2S and a molecular weight of 240.12 g/mol. Its IUPAC name is 5-bromo-1-methylsulfonyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-bromo-1-methylsulfonyl-3,6-dihydro-2H-pyridine
PubChem CID131154717
Molecular FormulaC6H10BrNO2S
Molecular Weight240.12 g/mol
Exact Mass238.96
IUPAC Name5-bromo-1-methylsulfonyl-3,6-dihydro-2H-pyridine
SMILESCS(=O)(=O)N1CCC=C(Br)C1
InChIInChI=1S/C6H10BrNO2S/c1-11(9,10)8-4-2-3-6(7)5-8/h3H,2,4-5H2,1H3
InChIKeyKRHWTFKLOYTBNL-UHFFFAOYSA-N
XLogP0.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.12
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methylsulfonyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-bromo-1-methylsulfonyl-3,6-dihydro-2H-pyridine (CID 131154717) is 5-bromo-1-methylsulfonyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-bromo-1-methylsulfonyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-bromo-1-methylsulfonyl-3,6-dihydro-2H-pyridine is CS(=O)(=O)N1CCC=C(Br)C1.
What is the InChIKey of 5-bromo-1-methylsulfonyl-3,6-dihydro-2H-pyridine?
The InChIKey is KRHWTFKLOYTBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrNO2S/c1-11(9,10)8-4-2-3-6(7)5-8/h3H,2,4-5H2,1H3.
What are the key properties of 5-bromo-1-methylsulfonyl-3,6-dihydro-2H-pyridine?
5-bromo-1-methylsulfonyl-3,6-dihydro-2H-pyridine has a molecular weight of 240.12 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methylsulfonyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 131154717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).