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

C8H14BrNO2S — CID 130891231

IUPAC5-bromo-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine
SMILESCC(C)S(=O)(=O)N1CCC=C(Br)C1
InChIInChI=1S/C8H14BrNO2S/c1-7(2)13(11,12)10-5-3-4-8(9)6-10/h4,7H,3,5-6H2,1-2H3
InChIKeyPQVNLHSRRPBUSE-UHFFFAOYSA-N
MW268.18 g/mol
LogP1.71
Rot. Bonds2

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

5-bromo-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine (PubChem CID 130891231) has the molecular formula C8H14BrNO2S and a molecular weight of 268.18 g/mol. Its IUPAC name is 5-bromo-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-bromo-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine
PubChem CID130891231
Molecular FormulaC8H14BrNO2S
Molecular Weight268.18 g/mol
Exact Mass266.99
IUPAC Name5-bromo-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine
SMILESCC(C)S(=O)(=O)N1CCC=C(Br)C1
InChIInChI=1S/C8H14BrNO2S/c1-7(2)13(11,12)10-5-3-4-8(9)6-10/h4,7H,3,5-6H2,1-2H3
InChIKeyPQVNLHSRRPBUSE-UHFFFAOYSA-N
XLogP1.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-bromo-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine (CID 130891231) is 5-bromo-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-bromo-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-bromo-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine is CC(C)S(=O)(=O)N1CCC=C(Br)C1.
What is the InChIKey of 5-bromo-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine?
The InChIKey is PQVNLHSRRPBUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNO2S/c1-7(2)13(11,12)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-ylsulfonyl-3,6-dihydro-2H-pyridine?
5-bromo-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine has a molecular weight of 268.18 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 130891231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).