1-(3-methylphenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine

C17H21N3O2S — CID 3716411

IUPAC1-(3-methylphenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine
SMILESCc1cccc(S(=O)(=O)N2CCN(c3cccc(C)n3)CC2)c1
InChIInChI=1S/C17H21N3O2S/c1-14-5-3-7-16(13-14)23(21,22)20-11-9-19(10-12-20)17-8-4-6-15(2)18-17/h3-8,13H,9-12H2,1-2H3
InChIKeyDYIMPDVGCPFSPZ-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.21
Rot. Bonds3

About 1-(3-methylphenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine

1-(3-methylphenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine (PubChem CID 3716411) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-(3-methylphenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(3-methylphenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine
PubChem CID3716411
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name1-(3-methylphenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine
SMILESCc1cccc(S(=O)(=O)N2CCN(c3cccc(C)n3)CC2)c1
InChIInChI=1S/C17H21N3O2S/c1-14-5-3-7-16(13-14)23(21,22)20-11-9-19(10-12-20)17-8-4-6-15(2)18-17/h3-8,13H,9-12H2,1-2H3
InChIKeyDYIMPDVGCPFSPZ-UHFFFAOYSA-N
XLogP2.21
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methyl-2-pyridinyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 3836694
1-(4-fluorophenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine
CID 4585375
1-(4-bromophenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine
CID 3264362
2-methyl-4-(4-methylphenoxy)-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 42474275
4-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
CID 56920545
4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine
CID 121187182
3-(2-methylimidazol-1-yl)-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 90539688
4-(4-fluorophenyl)-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 121107461
4-(4,5-dimethylimidazol-1-yl)-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 56921858
1-cyclopropylsulfonyl-4-(6-methyl-2-pyridinyl)-1,4-diazepane
CID 163346171
2-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]benzonitrile
CID 113080881
3,5-dimethyl-4-[[4-(6-methyl-2-pyridinyl)-1,4-diazepan-1-yl]sulfonyl]-1,2-oxazole
CID 133481686

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine?
The IUPAC name of 1-(3-methylphenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine (CID 3716411) is 1-(3-methylphenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(3-methylphenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine?
The canonical SMILES for 1-(3-methylphenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine is Cc1cccc(S(=O)(=O)N2CCN(c3cccc(C)n3)CC2)c1.
What is the InChIKey of 1-(3-methylphenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine?
The InChIKey is DYIMPDVGCPFSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-14-5-3-7-16(13-14)23(21,22)20-11-9-19(10-12-20)17-8-4-6-15(2)18-17/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine?
1-(3-methylphenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine has a molecular weight of 331.44 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine is sourced from PubChem (CID 3716411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).