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

C8H12BrNO2S — CID 130645128

IUPAC5-bromo-1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridine
SMILESO=S(=O)(C1CC1)N1CCC=C(Br)C1
InChIInChI=1S/C8H12BrNO2S/c9-7-2-1-5-10(6-7)13(11,12)8-3-4-8/h2,8H,1,3-6H2
InChIKeyZHHGETMHMMMKAV-UHFFFAOYSA-N
MW266.16 g/mol
LogP1.46
Rot. Bonds2

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

5-bromo-1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridine (PubChem CID 130645128) has the molecular formula C8H12BrNO2S and a molecular weight of 266.16 g/mol. Its IUPAC name is 5-bromo-1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-bromo-1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridine
PubChem CID130645128
Molecular FormulaC8H12BrNO2S
Molecular Weight266.16 g/mol
Exact Mass264.98
IUPAC Name5-bromo-1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridine
SMILESO=S(=O)(C1CC1)N1CCC=C(Br)C1
InChIInChI=1S/C8H12BrNO2S/c9-7-2-1-5-10(6-7)13(11,12)8-3-4-8/h2,8H,1,3-6H2
InChIKeyZHHGETMHMMMKAV-UHFFFAOYSA-N
XLogP1.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.16
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-bromo-1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridine (CID 130645128) is 5-bromo-1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-bromo-1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-bromo-1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridine is O=S(=O)(C1CC1)N1CCC=C(Br)C1.
What is the InChIKey of 5-bromo-1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridine?
The InChIKey is ZHHGETMHMMMKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNO2S/c9-7-2-1-5-10(6-7)13(11,12)8-3-4-8/h2,8H,1,3-6H2.
What are the key properties of 5-bromo-1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridine?
5-bromo-1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridine has a molecular weight of 266.16 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-cyclopropylsulfonyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 130645128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).