[(2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperidin-2-yl]methanamine

C12H20N4O2S — CID 97162087

IUPAC[(2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperidin-2-yl]methanamine
SMILESC[C@@H](c1cnccn1)S(=O)(=O)N1CCCC[C@@H]1CN
InChIInChI=1S/C12H20N4O2S/c1-10(12-9-14-5-6-15-12)19(17,18)16-7-3-2-4-11(16)8-13/h5-6,9-11H,2-4,7-8,13H2,1H3/t10-,11+/m0/s1
InChIKeyDYBXTHAGFAILTM-WDEREUQCSA-N
MW284.38 g/mol
LogP0.68
Rot. Bonds4

About [(2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperidin-2-yl]methanamine

[(2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperidin-2-yl]methanamine (PubChem CID 97162087) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is [(2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperidin-2-yl]methanamine
PubChem CID97162087
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name[(2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperidin-2-yl]methanamine
SMILESC[C@@H](c1cnccn1)S(=O)(=O)N1CCCC[C@@H]1CN
InChIInChI=1S/C12H20N4O2S/c1-10(12-9-14-5-6-15-12)19(17,18)16-7-3-2-4-11(16)8-13/h5-6,9-11H,2-4,7-8,13H2,1H3/t10-,11+/m0/s1
InChIKeyDYBXTHAGFAILTM-WDEREUQCSA-N
XLogP0.68
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(3-methylpyrazin-2-yl)sulfonylpiperidin-2-yl]methanamine
CID 97162685
1-(1-pyrazin-2-ylethylsulfonyl)piperidin-4-amine
CID 71637468
(3S)-1-[(1R)-1-pyrazin-2-ylethyl]sulfonylpiperidin-3-amine
CID 129372965
[(2S)-1-[(1S)-1-pyrazin-2-ylethyl]piperidin-2-yl]methanol
CID 124762062
2-[1-(2-methylpiperazin-1-yl)sulfonylethyl]pyrazine
CID 71637480
[(2S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-2-yl]methanamine
CID 97165454
[1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine
CID 71638895
(2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperazine-2-carboxylic acid
CID 97162093
2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]piperidine-1-sulfonamide
CID 106085863
[1-[(5-methyl-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine
CID 71638663
2-[(1R)-1-[(3S)-3-methylpiperazin-1-yl]sulfonylethyl]pyrazine
CID 98085542
2-(aminomethyl)-N-(3-fluoro-4-pyridinyl)piperidine-1-sulfonamide
CID 106090138

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperidin-2-yl]methanamine?
The IUPAC name of [(2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperidin-2-yl]methanamine (CID 97162087) is [(2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperidin-2-yl]methanamine.
What is the SMILES notation for [(2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperidin-2-yl]methanamine?
The canonical SMILES for [(2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperidin-2-yl]methanamine is C[C@@H](c1cnccn1)S(=O)(=O)N1CCCC[C@@H]1CN.
What is the InChIKey of [(2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperidin-2-yl]methanamine?
The InChIKey is DYBXTHAGFAILTM-WDEREUQCSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-10(12-9-14-5-6-15-12)19(17,18)16-7-3-2-4-11(16)8-13/h5-6,9-11H,2-4,7-8,13H2,1H3/t10-,11+/m0/s1.
What are the key properties of [(2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperidin-2-yl]methanamine?
[(2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperidin-2-yl]methanamine has a molecular weight of 284.38 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperidin-2-yl]methanamine is sourced from PubChem (CID 97162087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).