(2S)-2-methyl-4-(6-methyl-2-pyridinyl)-1-methylsulfonylpiperazine

C12H19N3O2S — CID 86816155

IUPAC(2S)-2-methyl-4-(6-methyl-2-pyridinyl)-1-methylsulfonylpiperazine
SMILESCc1cccc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1
InChIInChI=1S/C12H19N3O2S/c1-10-5-4-6-12(13-10)14-7-8-15(11(2)9-14)18(3,16)17/h4-6,11H,7-9H2,1-3H3/t11-/m0/s1
InChIKeyOOJPWTPFVVYHOM-NSHDSACASA-N
MW269.37 g/mol
LogP0.86
Rot. Bonds2

About (2S)-2-methyl-4-(6-methyl-2-pyridinyl)-1-methylsulfonylpiperazine

(2S)-2-methyl-4-(6-methyl-2-pyridinyl)-1-methylsulfonylpiperazine (PubChem CID 86816155) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is (2S)-2-methyl-4-(6-methyl-2-pyridinyl)-1-methylsulfonylpiperazine.

Molecular Properties

Compound Name(2S)-2-methyl-4-(6-methyl-2-pyridinyl)-1-methylsulfonylpiperazine
PubChem CID86816155
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name(2S)-2-methyl-4-(6-methyl-2-pyridinyl)-1-methylsulfonylpiperazine
SMILESCc1cccc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1
InChIInChI=1S/C12H19N3O2S/c1-10-5-4-6-12(13-10)14-7-8-15(11(2)9-14)18(3,16)17/h4-6,11H,7-9H2,1-3H3/t11-/m0/s1
InChIKeyOOJPWTPFVVYHOM-NSHDSACASA-N
XLogP0.86
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 86814552
(2S)-2-methyl-4-(4-methyl-2-pyridinyl)-1-methylsulfonylpiperazine
CID 91647017
N-(4-tert-butylphenyl)-2-methyl-4-(6-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 20720897
(3-hydroxyphenyl)-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 86785861
(3R)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-ol
CID 103801636
(3R)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 67001485
(2R,6S)-2,6-dimethyl-4-(6-methyl-2-pyridinyl)morpholine
CID 89468985
2-(azetidin-1-yl)-6-methylpyridine
CID 54182749
6-chloro-5-methyl-3-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-1,2,4-triazine
CID 171553422
1-cyclopropylsulfonyl-4-(6-methyl-2-pyridinyl)-1,4-diazepane
CID 163346171
N-methyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrrolidine-1-sulfonamide
CID 124974868
1-(3-methylphenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine
CID 3716411

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-(6-methyl-2-pyridinyl)-1-methylsulfonylpiperazine?
The IUPAC name of (2S)-2-methyl-4-(6-methyl-2-pyridinyl)-1-methylsulfonylpiperazine (CID 86816155) is (2S)-2-methyl-4-(6-methyl-2-pyridinyl)-1-methylsulfonylpiperazine.
What is the SMILES notation for (2S)-2-methyl-4-(6-methyl-2-pyridinyl)-1-methylsulfonylpiperazine?
The canonical SMILES for (2S)-2-methyl-4-(6-methyl-2-pyridinyl)-1-methylsulfonylpiperazine is Cc1cccc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1.
What is the InChIKey of (2S)-2-methyl-4-(6-methyl-2-pyridinyl)-1-methylsulfonylpiperazine?
The InChIKey is OOJPWTPFVVYHOM-NSHDSACASA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-10-5-4-6-12(13-10)14-7-8-15(11(2)9-14)18(3,16)17/h4-6,11H,7-9H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-2-methyl-4-(6-methyl-2-pyridinyl)-1-methylsulfonylpiperazine?
(2S)-2-methyl-4-(6-methyl-2-pyridinyl)-1-methylsulfonylpiperazine has a molecular weight of 269.37 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-(6-methyl-2-pyridinyl)-1-methylsulfonylpiperazine is sourced from PubChem (CID 86816155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).