5-bromo-1-tert-butylsulfonyl-3,6-dihydro-2H-pyridine

C9H16BrNO2S — CID 164664166

IUPAC5-bromo-1-tert-butylsulfonyl-3,6-dihydro-2H-pyridine
SMILESCC(C)(C)S(=O)(=O)N1CCC=C(Br)C1
InChIInChI=1S/C9H16BrNO2S/c1-9(2,3)14(12,13)11-6-4-5-8(10)7-11/h5H,4,6-7H2,1-3H3
InChIKeyFVJBEZPMTOYKTA-UHFFFAOYSA-N
MW282.20 g/mol
LogP2.10
Rot. Bonds1

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

5-bromo-1-tert-butylsulfonyl-3,6-dihydro-2H-pyridine (PubChem CID 164664166) has the molecular formula C9H16BrNO2S and a molecular weight of 282.20 g/mol. Its IUPAC name is 5-bromo-1-tert-butylsulfonyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-bromo-1-tert-butylsulfonyl-3,6-dihydro-2H-pyridine
PubChem CID164664166
Molecular FormulaC9H16BrNO2S
Molecular Weight282.20 g/mol
Exact Mass281.01
IUPAC Name5-bromo-1-tert-butylsulfonyl-3,6-dihydro-2H-pyridine
SMILESCC(C)(C)S(=O)(=O)N1CCC=C(Br)C1
InChIInChI=1S/C9H16BrNO2S/c1-9(2,3)14(12,13)11-6-4-5-8(10)7-11/h5H,4,6-7H2,1-3H3
InChIKeyFVJBEZPMTOYKTA-UHFFFAOYSA-N
XLogP2.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.20
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-methylsulfonyl-3,6-dihydro-2H-pyridine
CID 170673107
(3S)-4-bromo-1-tert-butylsulfonyl-3-methyl-3,6-dihydro-2H-pyridine
CID 23584708
5-methyl-1-propylsulfonyl-3,6-dihydro-2H-pyridine
CID 106316956
5-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine
CID 106316957
5-bromo-1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridine
CID 130645128
5-bromo-1-ethylsulfonyl-3,6-dihydro-2H-pyridine
CID 130831976
5-bromo-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine
CID 130891231
5-bromo-1-propylsulfonyl-3,6-dihydro-2H-pyridine
CID 131132116
5-bromo-1-methylsulfonyl-3,6-dihydro-2H-pyridine
CID 131154717
(E)-N,N-dipropylpent-2-ene-3-sulfonamide
CID 143430552
(Z)-N-ethyl-4-methyl-N-propylpent-2-ene-3-sulfonamide
CID 143635908
5-Bromo-1-(propane-2-sulfinyl)-1,2,3,6-tetrahydropyridine
CID 164656271

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-tert-butylsulfonyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-bromo-1-tert-butylsulfonyl-3,6-dihydro-2H-pyridine (CID 164664166) is 5-bromo-1-tert-butylsulfonyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-bromo-1-tert-butylsulfonyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-bromo-1-tert-butylsulfonyl-3,6-dihydro-2H-pyridine is CC(C)(C)S(=O)(=O)N1CCC=C(Br)C1.
What is the InChIKey of 5-bromo-1-tert-butylsulfonyl-3,6-dihydro-2H-pyridine?
The InChIKey is FVJBEZPMTOYKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNO2S/c1-9(2,3)14(12,13)11-6-4-5-8(10)7-11/h5H,4,6-7H2,1-3H3.
What are the key properties of 5-bromo-1-tert-butylsulfonyl-3,6-dihydro-2H-pyridine?
5-bromo-1-tert-butylsulfonyl-3,6-dihydro-2H-pyridine has a molecular weight of 282.20 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-tert-butylsulfonyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 164664166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).