2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrazine

C14H19N5O2S — CID 95824664

IUPAC2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrazine
SMILESCc1cncc(C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)n1
InChIInChI=1S/C14H19N5O2S/c1-11-7-15-8-13(17-11)12-3-5-19(6-4-12)22(20,21)14-9-18(2)10-16-14/h7-10,12H,3-6H2,1-2H3
InChIKeyHTYQBHVFXNICKB-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.09
Rot. Bonds3

About 2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrazine

2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrazine (PubChem CID 95824664) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrazine.

Molecular Properties

Compound Name2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrazine
PubChem CID95824664
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrazine
SMILESCc1cncc(C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)n1
InChIInChI=1S/C14H19N5O2S/c1-11-7-15-8-13(17-11)12-3-5-19(6-4-12)22(20,21)14-9-18(2)10-16-14/h7-10,12H,3-6H2,1-2H3
InChIKeyHTYQBHVFXNICKB-UHFFFAOYSA-N
XLogP1.09
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrazine?
The IUPAC name of 2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrazine (CID 95824664) is 2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrazine.
What is the SMILES notation for 2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrazine?
The canonical SMILES for 2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrazine is Cc1cncc(C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)n1.
What is the InChIKey of 2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrazine?
The InChIKey is HTYQBHVFXNICKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-11-7-15-8-13(17-11)12-3-5-19(6-4-12)22(20,21)14-9-18(2)10-16-14/h7-10,12H,3-6H2,1-2H3.
What are the key properties of 2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrazine?
2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrazine has a molecular weight of 321.41 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrazine is sourced from PubChem (CID 95824664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).