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

C8H14BrNO2S — CID 131132116

IUPAC5-bromo-1-propylsulfonyl-3,6-dihydro-2H-pyridine
SMILESCCCS(=O)(=O)N1CCC=C(Br)C1
InChIInChI=1S/C8H14BrNO2S/c1-2-6-13(11,12)10-5-3-4-8(9)7-10/h4H,2-3,5-7H2,1H3
InChIKeyVPQWRGHYOQZDLN-UHFFFAOYSA-N
MW268.18 g/mol
LogP1.71
Rot. Bonds3

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

5-bromo-1-propylsulfonyl-3,6-dihydro-2H-pyridine (PubChem CID 131132116) has the molecular formula C8H14BrNO2S and a molecular weight of 268.18 g/mol. Its IUPAC name is 5-bromo-1-propylsulfonyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-bromo-1-propylsulfonyl-3,6-dihydro-2H-pyridine
PubChem CID131132116
Molecular FormulaC8H14BrNO2S
Molecular Weight268.18 g/mol
Exact Mass266.99
IUPAC Name5-bromo-1-propylsulfonyl-3,6-dihydro-2H-pyridine
SMILESCCCS(=O)(=O)N1CCC=C(Br)C1
InChIInChI=1S/C8H14BrNO2S/c1-2-6-13(11,12)10-5-3-4-8(9)7-10/h4H,2-3,5-7H2,1H3
InChIKeyVPQWRGHYOQZDLN-UHFFFAOYSA-N
XLogP1.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-propylsulfonyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-bromo-1-propylsulfonyl-3,6-dihydro-2H-pyridine (CID 131132116) is 5-bromo-1-propylsulfonyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-bromo-1-propylsulfonyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-bromo-1-propylsulfonyl-3,6-dihydro-2H-pyridine is CCCS(=O)(=O)N1CCC=C(Br)C1.
What is the InChIKey of 5-bromo-1-propylsulfonyl-3,6-dihydro-2H-pyridine?
The InChIKey is VPQWRGHYOQZDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNO2S/c1-2-6-13(11,12)10-5-3-4-8(9)7-10/h4H,2-3,5-7H2,1H3.
What are the key properties of 5-bromo-1-propylsulfonyl-3,6-dihydro-2H-pyridine?
5-bromo-1-propylsulfonyl-3,6-dihydro-2H-pyridine has a molecular weight of 268.18 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-propylsulfonyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 131132116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).