(2R)-2-methyl-1-[(1S)-1-pyridin-2-ylethyl]sulfonylpiperazine

C12H19N3O2S — CID 129372961

IUPAC(2R)-2-methyl-1-[(1S)-1-pyridin-2-ylethyl]sulfonylpiperazine
SMILESC[C@@H]1CNCCN1S(=O)(=O)[C@@H](C)c1ccccn1
InChIInChI=1S/C12H19N3O2S/c1-10-9-13-7-8-15(10)18(16,17)11(2)12-5-3-4-6-14-12/h3-6,10-11,13H,7-9H2,1-2H3/t10-,11+/m1/s1
InChIKeyNJUMVDRSBFWDHK-MNOVXSKESA-N
MW269.37 g/mol
LogP0.77
Rot. Bonds3

About (2R)-2-methyl-1-[(1S)-1-pyridin-2-ylethyl]sulfonylpiperazine

(2R)-2-methyl-1-[(1S)-1-pyridin-2-ylethyl]sulfonylpiperazine (PubChem CID 129372961) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is (2R)-2-methyl-1-[(1S)-1-pyridin-2-ylethyl]sulfonylpiperazine.

Molecular Properties

Compound Name(2R)-2-methyl-1-[(1S)-1-pyridin-2-ylethyl]sulfonylpiperazine
PubChem CID129372961
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name(2R)-2-methyl-1-[(1S)-1-pyridin-2-ylethyl]sulfonylpiperazine
SMILESC[C@@H]1CNCCN1S(=O)(=O)[C@@H](C)c1ccccn1
InChIInChI=1S/C12H19N3O2S/c1-10-9-13-7-8-15(10)18(16,17)11(2)12-5-3-4-6-14-12/h3-6,10-11,13H,7-9H2,1-2H3/t10-,11+/m1/s1
InChIKeyNJUMVDRSBFWDHK-MNOVXSKESA-N
XLogP0.77
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-methylpiperazin-1-yl)sulfonylethyl]pyrazine
CID 71637480
1-(1-pyridin-2-ylethylsulfonyl)piperazine;hydrochloride
CID 71637437
(2S)-1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine
CID 97163398
(1S)-1-pyridin-2-yl-N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide
CID 97162039
1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine;hydrochloride
CID 71639579
2-(2-methylpiperazin-1-yl)sulfonylpyridine-3-carbonitrile;hydrochloride
CID 71639577
2-(2-methylpiperazin-1-yl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
CID 83980128
3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine
CID 24749263
(2R)-2-methyl-1-pyridin-2-ylpiperazine;hydrochloride
CID 134500587
(2R)-1-[(1S)-1-pyrazin-2-ylethyl]sulfonylpiperazine-2-carboxylic acid
CID 97162093
N-methyl-N-piperidin-3-yl-1-pyridin-2-ylethanesulfonamide
CID 71637418
(1S)-N-methyl-N-[(3R)-piperidin-3-yl]-1-pyridin-2-ylethanesulfonamide
CID 97162035

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-[(1S)-1-pyridin-2-ylethyl]sulfonylpiperazine?
The IUPAC name of (2R)-2-methyl-1-[(1S)-1-pyridin-2-ylethyl]sulfonylpiperazine (CID 129372961) is (2R)-2-methyl-1-[(1S)-1-pyridin-2-ylethyl]sulfonylpiperazine.
What is the SMILES notation for (2R)-2-methyl-1-[(1S)-1-pyridin-2-ylethyl]sulfonylpiperazine?
The canonical SMILES for (2R)-2-methyl-1-[(1S)-1-pyridin-2-ylethyl]sulfonylpiperazine is C[C@@H]1CNCCN1S(=O)(=O)[C@@H](C)c1ccccn1.
What is the InChIKey of (2R)-2-methyl-1-[(1S)-1-pyridin-2-ylethyl]sulfonylpiperazine?
The InChIKey is NJUMVDRSBFWDHK-MNOVXSKESA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-10-9-13-7-8-15(10)18(16,17)11(2)12-5-3-4-6-14-12/h3-6,10-11,13H,7-9H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of (2R)-2-methyl-1-[(1S)-1-pyridin-2-ylethyl]sulfonylpiperazine?
(2R)-2-methyl-1-[(1S)-1-pyridin-2-ylethyl]sulfonylpiperazine has a molecular weight of 269.37 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-[(1S)-1-pyridin-2-ylethyl]sulfonylpiperazine is sourced from PubChem (CID 129372961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).