(2R,6S)-4-(5-ethyl-2-pyridinyl)-2,6-dimethyl-1-methylsulfonylpiperazine

C14H23N3O2S — CID 129268309

IUPAC(2R,6S)-4-(5-ethyl-2-pyridinyl)-2,6-dimethyl-1-methylsulfonylpiperazine
SMILESCCc1ccc(N2C[C@@H](C)N(S(C)(=O)=O)[C@@H](C)C2)nc1
InChIInChI=1S/C14H23N3O2S/c1-5-13-6-7-14(15-8-13)16-9-11(2)17(12(3)10-16)20(4,18)19/h6-8,11-12H,5,9-10H2,1-4H3/t11-,12+
InChIKeyMGZPMXFFQHOPEO-TXEJJXNPSA-N
MW297.42 g/mol
LogP1.50
Rot. Bonds3

About (2R,6S)-4-(5-ethyl-2-pyridinyl)-2,6-dimethyl-1-methylsulfonylpiperazine

(2R,6S)-4-(5-ethyl-2-pyridinyl)-2,6-dimethyl-1-methylsulfonylpiperazine (PubChem CID 129268309) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is (2R,6S)-4-(5-ethyl-2-pyridinyl)-2,6-dimethyl-1-methylsulfonylpiperazine.

Molecular Properties

Compound Name(2R,6S)-4-(5-ethyl-2-pyridinyl)-2,6-dimethyl-1-methylsulfonylpiperazine
PubChem CID129268309
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name(2R,6S)-4-(5-ethyl-2-pyridinyl)-2,6-dimethyl-1-methylsulfonylpiperazine
SMILESCCc1ccc(N2C[C@@H](C)N(S(C)(=O)=O)[C@@H](C)C2)nc1
InChIInChI=1S/C14H23N3O2S/c1-5-13-6-7-14(15-8-13)16-9-11(2)17(12(3)10-16)20(4,18)19/h6-8,11-12H,5,9-10H2,1-4H3/t11-,12+
InChIKeyMGZPMXFFQHOPEO-TXEJJXNPSA-N
XLogP1.50
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethyl-2-pyridinyl)pyrrolidine-3,4-diol
CID 177167295
5-ethyl-2-(3-iodoazetidin-1-yl)pyridine
CID 88994935
(3R,4S)-1-[5-(methylsulfonylmethyl)-2-pyridinyl]-4-propylpyrrolidin-3-amine
CID 72896373
(1S,2S,6R,7R)-4-[5-(methylsulfonylmethyl)-2-pyridinyl]-4-azatricyclo[5.2.1.02,6]decane
CID 56876883
[6-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]methanol
CID 55218133
[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 61257054
N-methyl-1-[6-(3,4,5-trimethylpiperazin-1-yl)-3-pyridinyl]methanamine
CID 114538637
5-(chloromethyl)-2-(3,5-dimethylpiperidin-1-yl)pyridine
CID 61257198
2-[6-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]ethanamine
CID 80634567
[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine
CID 30047687
2-(5-bromo-2-pyridinyl)-5-methylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 163355260
2-[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]ethanamine
CID 80633426

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-(5-ethyl-2-pyridinyl)-2,6-dimethyl-1-methylsulfonylpiperazine?
The IUPAC name of (2R,6S)-4-(5-ethyl-2-pyridinyl)-2,6-dimethyl-1-methylsulfonylpiperazine (CID 129268309) is (2R,6S)-4-(5-ethyl-2-pyridinyl)-2,6-dimethyl-1-methylsulfonylpiperazine.
What is the SMILES notation for (2R,6S)-4-(5-ethyl-2-pyridinyl)-2,6-dimethyl-1-methylsulfonylpiperazine?
The canonical SMILES for (2R,6S)-4-(5-ethyl-2-pyridinyl)-2,6-dimethyl-1-methylsulfonylpiperazine is CCc1ccc(N2C[C@@H](C)N(S(C)(=O)=O)[C@@H](C)C2)nc1.
What is the InChIKey of (2R,6S)-4-(5-ethyl-2-pyridinyl)-2,6-dimethyl-1-methylsulfonylpiperazine?
The InChIKey is MGZPMXFFQHOPEO-TXEJJXNPSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-5-13-6-7-14(15-8-13)16-9-11(2)17(12(3)10-16)20(4,18)19/h6-8,11-12H,5,9-10H2,1-4H3/t11-,12+.
What are the key properties of (2R,6S)-4-(5-ethyl-2-pyridinyl)-2,6-dimethyl-1-methylsulfonylpiperazine?
(2R,6S)-4-(5-ethyl-2-pyridinyl)-2,6-dimethyl-1-methylsulfonylpiperazine has a molecular weight of 297.42 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-(5-ethyl-2-pyridinyl)-2,6-dimethyl-1-methylsulfonylpiperazine is sourced from PubChem (CID 129268309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).