6-(1-methylsulfonylpiperidin-3-yl)-N-pyridin-2-ylpyrazin-2-amine

C15H19N5O2S — CID 110252903

IUPAC6-(1-methylsulfonylpiperidin-3-yl)-N-pyridin-2-ylpyrazin-2-amine
SMILESCS(=O)(=O)N1CCCC(c2cncc(Nc3ccccn3)n2)C1
InChIInChI=1S/C15H19N5O2S/c1-23(21,22)20-8-4-5-12(11-20)13-9-16-10-15(18-13)19-14-6-2-3-7-17-14/h2-3,6-7,9-10,12H,4-5,8,11H2,1H3,(H,17,18,19)
InChIKeyDQLUETODJNFDHX-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.75
Rot. Bonds4

About 6-(1-methylsulfonylpiperidin-3-yl)-N-pyridin-2-ylpyrazin-2-amine

6-(1-methylsulfonylpiperidin-3-yl)-N-pyridin-2-ylpyrazin-2-amine (PubChem CID 110252903) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 6-(1-methylsulfonylpiperidin-3-yl)-N-pyridin-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name6-(1-methylsulfonylpiperidin-3-yl)-N-pyridin-2-ylpyrazin-2-amine
PubChem CID110252903
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name6-(1-methylsulfonylpiperidin-3-yl)-N-pyridin-2-ylpyrazin-2-amine
SMILESCS(=O)(=O)N1CCCC(c2cncc(Nc3ccccn3)n2)C1
InChIInChI=1S/C15H19N5O2S/c1-23(21,22)20-8-4-5-12(11-20)13-9-16-10-15(18-13)19-14-6-2-3-7-17-14/h2-3,6-7,9-10,12H,4-5,8,11H2,1H3,(H,17,18,19)
InChIKeyDQLUETODJNFDHX-UHFFFAOYSA-N
XLogP1.75
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-pyridin-2-yl-6-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazin-2-amine
CID 95814623
4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine
CID 110252905
N-cyclopentyl-6-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine
CID 110257261
3-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]imidazo[1,2-a]pyrimidine
CID 110096967
2-chloro-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 124938808
2-[(3R)-1-methylsulfonylpiperidin-3-yl]-6-phenoxypyrazine
CID 95822186
N-pyrazin-2-yl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazin-2-amine
CID 110094062
4-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-pyridin-2-ylpyridin-2-amine
CID 110256844
N-pyridin-2-yl-6-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)pyridin-2-amine
CID 110093833
2-[(3R)-1-methylsulfonylpiperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyrazine
CID 124973464
N-[6-[(3R)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrazin-2-amine
CID 124964128
6-[(2R)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyrazin-2-amine
CID 95836399

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylsulfonylpiperidin-3-yl)-N-pyridin-2-ylpyrazin-2-amine?
The IUPAC name of 6-(1-methylsulfonylpiperidin-3-yl)-N-pyridin-2-ylpyrazin-2-amine (CID 110252903) is 6-(1-methylsulfonylpiperidin-3-yl)-N-pyridin-2-ylpyrazin-2-amine.
What is the SMILES notation for 6-(1-methylsulfonylpiperidin-3-yl)-N-pyridin-2-ylpyrazin-2-amine?
The canonical SMILES for 6-(1-methylsulfonylpiperidin-3-yl)-N-pyridin-2-ylpyrazin-2-amine is CS(=O)(=O)N1CCCC(c2cncc(Nc3ccccn3)n2)C1.
What is the InChIKey of 6-(1-methylsulfonylpiperidin-3-yl)-N-pyridin-2-ylpyrazin-2-amine?
The InChIKey is DQLUETODJNFDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-23(21,22)20-8-4-5-12(11-20)13-9-16-10-15(18-13)19-14-6-2-3-7-17-14/h2-3,6-7,9-10,12H,4-5,8,11H2,1H3,(H,17,18,19).
What are the key properties of 6-(1-methylsulfonylpiperidin-3-yl)-N-pyridin-2-ylpyrazin-2-amine?
6-(1-methylsulfonylpiperidin-3-yl)-N-pyridin-2-ylpyrazin-2-amine has a molecular weight of 333.42 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylsulfonylpiperidin-3-yl)-N-pyridin-2-ylpyrazin-2-amine is sourced from PubChem (CID 110252903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).