[(2R)-2-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-3-pyridinyl)methanone

C19H23N3O3S — CID 59161395

IUPAC[(2R)-2-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-3-pyridinyl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccnc3C)[C@H](C)C2)cc1
InChIInChI=1S/C19H23N3O3S/c1-14-6-8-17(9-7-14)26(24,25)21-11-12-22(15(2)13-21)19(23)18-5-4-10-20-16(18)3/h4-10,15H,11-13H2,1-3H3/t15-/m1/s1
InChIKeyRZDJJUJGQBEFNV-OAHLLOKOSA-N
MW373.48 g/mol
LogP2.23
Rot. Bonds3

About [(2R)-2-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-3-pyridinyl)methanone

[(2R)-2-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-3-pyridinyl)methanone (PubChem CID 59161395) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is [(2R)-2-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(2R)-2-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-3-pyridinyl)methanone
PubChem CID59161395
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name[(2R)-2-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-3-pyridinyl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccnc3C)[C@H](C)C2)cc1
InChIInChI=1S/C19H23N3O3S/c1-14-6-8-17(9-7-14)26(24,25)21-11-12-22(15(2)13-21)19(23)18-5-4-10-20-16(18)3/h4-10,15H,11-13H2,1-3H3/t15-/m1/s1
InChIKeyRZDJJUJGQBEFNV-OAHLLOKOSA-N
XLogP2.23
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S)-2-methyl-4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 59152093
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxylic acid
CID 45422859
1,2-dimethyl-4-(4-methylphenyl)sulfonylpiperazine
CID 110707656
(6-amino-4,5-dimethyl-3-pyridinyl)-[(2S)-2-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 91446876
(6-methyl-3-pyridinyl)-[(2S)-2-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 59161381
(2-methyl-3-pyridinyl)-[(3S)-3-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 59161359
(2-fluoro-3-pyridinyl)-[(2S)-2-methyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 164560890
(2-hydroxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27508668
(2-methylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 1075998
[(5R)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone
CID 7355258
3-chloro-1-(4-methylphenyl)sulfonylpyrrolidine
CID 63400608
[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 102788335

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-3-pyridinyl)methanone?
The IUPAC name of [(2R)-2-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-3-pyridinyl)methanone (CID 59161395) is [(2R)-2-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [(2R)-2-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-3-pyridinyl)methanone?
The canonical SMILES for [(2R)-2-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-3-pyridinyl)methanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccnc3C)[C@H](C)C2)cc1.
What is the InChIKey of [(2R)-2-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-3-pyridinyl)methanone?
The InChIKey is RZDJJUJGQBEFNV-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-14-6-8-17(9-7-14)26(24,25)21-11-12-22(15(2)13-21)19(23)18-5-4-10-20-16(18)3/h4-10,15H,11-13H2,1-3H3/t15-/m1/s1.
What are the key properties of [(2R)-2-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-3-pyridinyl)methanone?
[(2R)-2-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-3-pyridinyl)methanone has a molecular weight of 373.48 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 59161395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).