5-bromo-1-propan-2-ylsulfinyl-3,6-dihydro-2H-pyridine

C8H14BrNOS — CID 164656271

IUPAC5-bromo-1-propan-2-ylsulfinyl-3,6-dihydro-2H-pyridine
SMILESCC(C)S(=O)N1CCC=C(Br)C1
InChIInChI=1S/C8H14BrNOS/c1-7(2)12(11)10-5-3-4-8(9)6-10/h4,7H,3,5-6H2,1-2H3
InChIKeyGOHVQFWDBMWFSM-UHFFFAOYSA-N
MW252.18 g/mol
LogP2.04
Rot. Bonds2

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

5-bromo-1-propan-2-ylsulfinyl-3,6-dihydro-2H-pyridine (PubChem CID 164656271) has the molecular formula C8H14BrNOS and a molecular weight of 252.18 g/mol. Its IUPAC name is 5-bromo-1-propan-2-ylsulfinyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-bromo-1-propan-2-ylsulfinyl-3,6-dihydro-2H-pyridine
PubChem CID164656271
Molecular FormulaC8H14BrNOS
Molecular Weight252.18 g/mol
Exact Mass251.00
IUPAC Name5-bromo-1-propan-2-ylsulfinyl-3,6-dihydro-2H-pyridine
SMILESCC(C)S(=O)N1CCC=C(Br)C1
InChIInChI=1S/C8H14BrNOS/c1-7(2)12(11)10-5-3-4-8(9)6-10/h4,7H,3,5-6H2,1-2H3
InChIKeyGOHVQFWDBMWFSM-UHFFFAOYSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.18
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-propan-2-ylsulfinyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-bromo-1-propan-2-ylsulfinyl-3,6-dihydro-2H-pyridine (CID 164656271) is 5-bromo-1-propan-2-ylsulfinyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-bromo-1-propan-2-ylsulfinyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-bromo-1-propan-2-ylsulfinyl-3,6-dihydro-2H-pyridine is CC(C)S(=O)N1CCC=C(Br)C1.
What is the InChIKey of 5-bromo-1-propan-2-ylsulfinyl-3,6-dihydro-2H-pyridine?
The InChIKey is GOHVQFWDBMWFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNOS/c1-7(2)12(11)10-5-3-4-8(9)6-10/h4,7H,3,5-6H2,1-2H3.
What are the key properties of 5-bromo-1-propan-2-ylsulfinyl-3,6-dihydro-2H-pyridine?
5-bromo-1-propan-2-ylsulfinyl-3,6-dihydro-2H-pyridine has a molecular weight of 252.18 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-propan-2-ylsulfinyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 164656271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).