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

C12H19N3O2S — CID 91647017

IUPAC(2S)-2-methyl-4-(4-methyl-2-pyridinyl)-1-methylsulfonylpiperazine
SMILESCc1ccnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)c1
InChIInChI=1S/C12H19N3O2S/c1-10-4-5-13-12(8-10)14-6-7-15(11(2)9-14)18(3,16)17/h4-5,8,11H,6-7,9H2,1-3H3/t11-/m0/s1
InChIKeyLEPYVGDYKWIIDM-NSHDSACASA-N
MW269.37 g/mol
LogP0.86
Rot. Bonds2

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

(2S)-2-methyl-4-(4-methyl-2-pyridinyl)-1-methylsulfonylpiperazine (PubChem CID 91647017) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is (2S)-2-methyl-4-(4-methyl-2-pyridinyl)-1-methylsulfonylpiperazine.

Molecular Properties

Compound Name(2S)-2-methyl-4-(4-methyl-2-pyridinyl)-1-methylsulfonylpiperazine
PubChem CID91647017
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name(2S)-2-methyl-4-(4-methyl-2-pyridinyl)-1-methylsulfonylpiperazine
SMILESCc1ccnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)c1
InChIInChI=1S/C12H19N3O2S/c1-10-4-5-13-12(8-10)14-6-7-15(11(2)9-14)18(3,16)17/h4-5,8,11H,6-7,9H2,1-3H3/t11-/m0/s1
InChIKeyLEPYVGDYKWIIDM-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-(4-methyl-2-pyridinyl)-1-methylsulfonylpiperazine?
The IUPAC name of (2S)-2-methyl-4-(4-methyl-2-pyridinyl)-1-methylsulfonylpiperazine (CID 91647017) is (2S)-2-methyl-4-(4-methyl-2-pyridinyl)-1-methylsulfonylpiperazine.
What is the SMILES notation for (2S)-2-methyl-4-(4-methyl-2-pyridinyl)-1-methylsulfonylpiperazine?
The canonical SMILES for (2S)-2-methyl-4-(4-methyl-2-pyridinyl)-1-methylsulfonylpiperazine is Cc1ccnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)c1.
What is the InChIKey of (2S)-2-methyl-4-(4-methyl-2-pyridinyl)-1-methylsulfonylpiperazine?
The InChIKey is LEPYVGDYKWIIDM-NSHDSACASA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-10-4-5-13-12(8-10)14-6-7-15(11(2)9-14)18(3,16)17/h4-5,8,11H,6-7,9H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-2-methyl-4-(4-methyl-2-pyridinyl)-1-methylsulfonylpiperazine?
(2S)-2-methyl-4-(4-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-(4-methyl-2-pyridinyl)-1-methylsulfonylpiperazine is sourced from PubChem (CID 91647017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).