(1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyrazin-2-ylethanesulfonamide

C12H20N4O2S — CID 97162101

IUPAC(1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyrazin-2-ylethanesulfonamide
SMILESC[C@@H](c1cnccn1)S(=O)(=O)NC[C@@H]1CCCCN1
InChIInChI=1S/C12H20N4O2S/c1-10(12-9-13-6-7-15-12)19(17,18)16-8-11-4-2-3-5-14-11/h6-7,9-11,14,16H,2-5,8H2,1H3/t10-,11-/m0/s1
InChIKeyRUNNIJVVTNLNLZ-QWRGUYRKSA-N
MW284.38 g/mol
LogP0.60
Rot. Bonds5

About (1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyrazin-2-ylethanesulfonamide

(1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyrazin-2-ylethanesulfonamide (PubChem CID 97162101) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is (1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyrazin-2-ylethanesulfonamide.

Molecular Properties

Compound Name(1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyrazin-2-ylethanesulfonamide
PubChem CID97162101
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name(1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyrazin-2-ylethanesulfonamide
SMILESC[C@@H](c1cnccn1)S(=O)(=O)NC[C@@H]1CCCCN1
InChIInChI=1S/C12H20N4O2S/c1-10(12-9-13-6-7-15-12)19(17,18)16-8-11-4-2-3-5-14-11/h6-7,9-11,14,16H,2-5,8H2,1H3/t10-,11-/m0/s1
InChIKeyRUNNIJVVTNLNLZ-QWRGUYRKSA-N
XLogP0.60
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(piperidin-2-ylmethyl)-1-pyrazin-2-ylethanamine
CID 71637820
(1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyridin-2-ylethanesulfonamide
CID 97162061
2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]pyrazine
CID 97162411
2-[1-(piperidin-2-ylmethoxy)ethyl]pyrazine;hydrochloride
CID 71637955
(1S)-N-piperidin-4-yl-1-pyrazin-2-ylethanesulfonamide
CID 97162099
(1S)-N-[(3S)-piperidin-3-yl]-1-pyrazin-2-ylethanesulfonamide
CID 97162097
2-[1-(2-piperidin-2-ylethoxy)ethyl]pyrazine
CID 71638016
N-propan-2-yl-1-pyrazin-2-ylethanesulfonamide
CID 71633121
2-(piperidin-2-ylmethylsulfonyl)pyrazine;hydrochloride
CID 71645679
2-[1-(3-piperidin-2-ylpropoxy)ethyl]pyrazine
CID 71638052
2-[(1R)-1-[[(2R)-pyrrolidin-2-yl]methoxy]ethyl]pyrazine
CID 97162438
1-pyrazin-2-yl-N-pyrrolidin-3-ylethanesulfonamide;hydrochloride
CID 71637485

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyrazin-2-ylethanesulfonamide?
The IUPAC name of (1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyrazin-2-ylethanesulfonamide (CID 97162101) is (1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyrazin-2-ylethanesulfonamide.
What is the SMILES notation for (1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyrazin-2-ylethanesulfonamide?
The canonical SMILES for (1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyrazin-2-ylethanesulfonamide is C[C@@H](c1cnccn1)S(=O)(=O)NC[C@@H]1CCCCN1.
What is the InChIKey of (1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyrazin-2-ylethanesulfonamide?
The InChIKey is RUNNIJVVTNLNLZ-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-10(12-9-13-6-7-15-12)19(17,18)16-8-11-4-2-3-5-14-11/h6-7,9-11,14,16H,2-5,8H2,1H3/t10-,11-/m0/s1.
What are the key properties of (1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyrazin-2-ylethanesulfonamide?
(1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyrazin-2-ylethanesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyrazin-2-ylethanesulfonamide is sourced from PubChem (CID 97162101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).