2-bromo-5-(1-methylsulfonylpiperidin-3-yl)pyrazine

C10H14BrN3O2S — CID 110082276

IUPAC2-bromo-5-(1-methylsulfonylpiperidin-3-yl)pyrazine
SMILESCS(=O)(=O)N1CCCC(c2cnc(Br)cn2)C1
InChIInChI=1S/C10H14BrN3O2S/c1-17(15,16)14-4-2-3-8(7-14)9-5-13-10(11)6-12-9/h5-6,8H,2-4,7H2,1H3
InChIKeyZZYCNQLYGGFUJQ-UHFFFAOYSA-N
MW320.21 g/mol
LogP1.38
Rot. Bonds2

About 2-bromo-5-(1-methylsulfonylpiperidin-3-yl)pyrazine

2-bromo-5-(1-methylsulfonylpiperidin-3-yl)pyrazine (PubChem CID 110082276) has the molecular formula C10H14BrN3O2S and a molecular weight of 320.21 g/mol. Its IUPAC name is 2-bromo-5-(1-methylsulfonylpiperidin-3-yl)pyrazine.

Molecular Properties

Compound Name2-bromo-5-(1-methylsulfonylpiperidin-3-yl)pyrazine
PubChem CID110082276
Molecular FormulaC10H14BrN3O2S
Molecular Weight320.21 g/mol
Exact Mass319.00
IUPAC Name2-bromo-5-(1-methylsulfonylpiperidin-3-yl)pyrazine
SMILESCS(=O)(=O)N1CCCC(c2cnc(Br)cn2)C1
InChIInChI=1S/C10H14BrN3O2S/c1-17(15,16)14-4-2-3-8(7-14)9-5-13-10(11)6-12-9/h5-6,8H,2-4,7H2,1H3
InChIKeyZZYCNQLYGGFUJQ-UHFFFAOYSA-N
XLogP1.38
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-oxazole
CID 124976826
2-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-3-ylpyrazine
CID 110257451
2-(1-ethylpyrazol-4-yl)-5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 124994871
2-(1-ethylpyrazol-4-yl)-5-(1-methylsulfonylpiperidin-3-yl)pyrazine
CID 127246053
N-methyl-3-[5-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]propanamide
CID 95826583
2-[(3S)-1-methylsulfonylpiperidin-3-yl]-5-(1-propan-2-ylpyrazol-4-yl)pyrazine
CID 124986244
2-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 95817357
2-(1-methylsulfonylpiperidin-3-yl)-5-(1-propylpyrazol-4-yl)pyrazine
CID 110102339
2-chloro-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 124938808
5-benzyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine
CID 110264018
2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole
CID 124982395
5-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-thiazole
CID 124966701

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(1-methylsulfonylpiperidin-3-yl)pyrazine?
The IUPAC name of 2-bromo-5-(1-methylsulfonylpiperidin-3-yl)pyrazine (CID 110082276) is 2-bromo-5-(1-methylsulfonylpiperidin-3-yl)pyrazine.
What is the SMILES notation for 2-bromo-5-(1-methylsulfonylpiperidin-3-yl)pyrazine?
The canonical SMILES for 2-bromo-5-(1-methylsulfonylpiperidin-3-yl)pyrazine is CS(=O)(=O)N1CCCC(c2cnc(Br)cn2)C1.
What is the InChIKey of 2-bromo-5-(1-methylsulfonylpiperidin-3-yl)pyrazine?
The InChIKey is ZZYCNQLYGGFUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2S/c1-17(15,16)14-4-2-3-8(7-14)9-5-13-10(11)6-12-9/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 2-bromo-5-(1-methylsulfonylpiperidin-3-yl)pyrazine?
2-bromo-5-(1-methylsulfonylpiperidin-3-yl)pyrazine has a molecular weight of 320.21 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(1-methylsulfonylpiperidin-3-yl)pyrazine is sourced from PubChem (CID 110082276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).