2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-pyrrolidin-1-ylpyrazine

C15H24N4O2S — CID 110257244

IUPAC2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-pyrrolidin-1-ylpyrazine
SMILESCS(=O)(=O)N1CCCC(Cc2cnc(N3CCCC3)cn2)C1
InChIInChI=1S/C15H24N4O2S/c1-22(20,21)19-8-4-5-13(12-19)9-14-10-17-15(11-16-14)18-6-2-3-7-18/h10-11,13H,2-9,12H2,1H3
InChIKeyHDFQLQXDDJBXIG-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.29
Rot. Bonds4

About 2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-pyrrolidin-1-ylpyrazine

2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-pyrrolidin-1-ylpyrazine (PubChem CID 110257244) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-pyrrolidin-1-ylpyrazine.

Molecular Properties

Compound Name2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-pyrrolidin-1-ylpyrazine
PubChem CID110257244
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-pyrrolidin-1-ylpyrazine
SMILESCS(=O)(=O)N1CCCC(Cc2cnc(N3CCCC3)cn2)C1
InChIInChI=1S/C15H24N4O2S/c1-22(20,21)19-8-4-5-13(12-19)9-14-10-17-15(11-16-14)18-6-2-3-7-18/h10-11,13H,2-9,12H2,1H3
InChIKeyHDFQLQXDDJBXIG-UHFFFAOYSA-N
XLogP1.29
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole
CID 110131565
2-(5-methyl-1H-pyrazol-3-yl)-5-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 124966971
2-[5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-oxazole
CID 125014070
2-(2-methylpyrazol-3-yl)-5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 124983638
5-[(1-methylsulfonylazepan-4-yl)methyl]-N-propan-2-ylpyrazin-2-amine
CID 110257368
4-chloro-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 95804176
2-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 95804526
2-chloro-3-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 95804524
4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 124995645
(3R)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 124947593
N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine
CID 95131678
3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-pyrrolidin-1-ylpyrazine?
The IUPAC name of 2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-pyrrolidin-1-ylpyrazine (CID 110257244) is 2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-pyrrolidin-1-ylpyrazine.
What is the SMILES notation for 2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-pyrrolidin-1-ylpyrazine?
The canonical SMILES for 2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-pyrrolidin-1-ylpyrazine is CS(=O)(=O)N1CCCC(Cc2cnc(N3CCCC3)cn2)C1.
What is the InChIKey of 2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-pyrrolidin-1-ylpyrazine?
The InChIKey is HDFQLQXDDJBXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-22(20,21)19-8-4-5-13(12-19)9-14-10-17-15(11-16-14)18-6-2-3-7-18/h10-11,13H,2-9,12H2,1H3.
What are the key properties of 2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-pyrrolidin-1-ylpyrazine?
2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-pyrrolidin-1-ylpyrazine has a molecular weight of 324.45 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-pyrrolidin-1-ylpyrazine is sourced from PubChem (CID 110257244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).