3-[(1-ethylsulfonylpiperidin-3-yl)methyl]-N-methylpyrazin-2-amine

C13H22N4O2S — CID 110113242

IUPAC3-[(1-ethylsulfonylpiperidin-3-yl)methyl]-N-methylpyrazin-2-amine
SMILESCCS(=O)(=O)N1CCCC(Cc2nccnc2NC)C1
InChIInChI=1S/C13H22N4O2S/c1-3-20(18,19)17-8-4-5-11(10-17)9-12-13(14-2)16-7-6-15-12/h6-7,11H,3-5,8-10H2,1-2H3,(H,14,16)
InChIKeyCVGOKASYNLDLKJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.12
Rot. Bonds5

About 3-[(1-ethylsulfonylpiperidin-3-yl)methyl]-N-methylpyrazin-2-amine

3-[(1-ethylsulfonylpiperidin-3-yl)methyl]-N-methylpyrazin-2-amine (PubChem CID 110113242) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-[(1-ethylsulfonylpiperidin-3-yl)methyl]-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name3-[(1-ethylsulfonylpiperidin-3-yl)methyl]-N-methylpyrazin-2-amine
PubChem CID110113242
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name3-[(1-ethylsulfonylpiperidin-3-yl)methyl]-N-methylpyrazin-2-amine
SMILESCCS(=O)(=O)N1CCCC(Cc2nccnc2NC)C1
InChIInChI=1S/C13H22N4O2S/c1-3-20(18,19)17-8-4-5-11(10-17)9-12-13(14-2)16-7-6-15-12/h6-7,11H,3-5,8-10H2,1-2H3,(H,14,16)
InChIKeyCVGOKASYNLDLKJ-UHFFFAOYSA-N
XLogP1.12
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrazin-2-amine
CID 110095069
N-methyl-3-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]pyrazin-2-amine
CID 110095070
3-amino-1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
CID 110113301
2-chloro-3-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 95804524
(4,4-difluorocyclohexyl)-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 110113321
[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 110113209
3-(3-ethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 62146476
N-methyl-3-[[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine
CID 110113217
N-methyl-3-[[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
CID 124988938
1-[(3S)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 125012361
1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 110119236
(3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 125014655

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylsulfonylpiperidin-3-yl)methyl]-N-methylpyrazin-2-amine?
The IUPAC name of 3-[(1-ethylsulfonylpiperidin-3-yl)methyl]-N-methylpyrazin-2-amine (CID 110113242) is 3-[(1-ethylsulfonylpiperidin-3-yl)methyl]-N-methylpyrazin-2-amine.
What is the SMILES notation for 3-[(1-ethylsulfonylpiperidin-3-yl)methyl]-N-methylpyrazin-2-amine?
The canonical SMILES for 3-[(1-ethylsulfonylpiperidin-3-yl)methyl]-N-methylpyrazin-2-amine is CCS(=O)(=O)N1CCCC(Cc2nccnc2NC)C1.
What is the InChIKey of 3-[(1-ethylsulfonylpiperidin-3-yl)methyl]-N-methylpyrazin-2-amine?
The InChIKey is CVGOKASYNLDLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-3-20(18,19)17-8-4-5-11(10-17)9-12-13(14-2)16-7-6-15-12/h6-7,11H,3-5,8-10H2,1-2H3,(H,14,16).
What are the key properties of 3-[(1-ethylsulfonylpiperidin-3-yl)methyl]-N-methylpyrazin-2-amine?
3-[(1-ethylsulfonylpiperidin-3-yl)methyl]-N-methylpyrazin-2-amine has a molecular weight of 298.41 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylsulfonylpiperidin-3-yl)methyl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 110113242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).