1-methyl-3-(3-methylphenyl)sulfonylpiperazine

C12H18N2O2S — CID 117037188

IUPAC1-methyl-3-(3-methylphenyl)sulfonylpiperazine
SMILESCc1cccc(S(=O)(=O)C2CN(C)CCN2)c1
InChIInChI=1S/C12H18N2O2S/c1-10-4-3-5-11(8-10)17(15,16)12-9-14(2)7-6-13-12/h3-5,8,12-13H,6-7,9H2,1-2H3
InChIKeyMLLVICJNGBCGIQ-UHFFFAOYSA-N
MW254.35 g/mol
LogP0.63
Rot. Bonds2

About 1-methyl-3-(3-methylphenyl)sulfonylpiperazine

1-methyl-3-(3-methylphenyl)sulfonylpiperazine (PubChem CID 117037188) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-methyl-3-(3-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-methyl-3-(3-methylphenyl)sulfonylpiperazine
PubChem CID117037188
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name1-methyl-3-(3-methylphenyl)sulfonylpiperazine
SMILESCc1cccc(S(=O)(=O)C2CN(C)CCN2)c1
InChIInChI=1S/C12H18N2O2S/c1-10-4-3-5-11(8-10)17(15,16)12-9-14(2)7-6-13-12/h3-5,8,12-13H,6-7,9H2,1-2H3
InChIKeyMLLVICJNGBCGIQ-UHFFFAOYSA-N
XLogP0.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887449
1-(3-methylphenyl)sulfonylpyrrolidin-3-amine
CID 62069516
(3S,5S)-3,5-dimethyl-1-(3-methylphenyl)sulfonylpiperazine
CID 42325544
1,2,6-trimethyl-4-(3-methylphenyl)sulfonylpiperazine
CID 110662414
[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62370440
2,5-dimethyl-1-(3-methylphenyl)sulfonylpiperazine
CID 64979870
(2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine
CID 82755571
2,8-dimethyl-5-(3-methylphenyl)sulfonyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
CID 42913085
1-(3-methylphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714337
4-bromo-3-methyl-1-(3-methylphenyl)sulfonylpiperidine
CID 114683757
2-cyclopropyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110871844
(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291650

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-methyl-3-(3-methylphenyl)sulfonylpiperazine (CID 117037188) is 1-methyl-3-(3-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-methyl-3-(3-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-methyl-3-(3-methylphenyl)sulfonylpiperazine is Cc1cccc(S(=O)(=O)C2CN(C)CCN2)c1.
What is the InChIKey of 1-methyl-3-(3-methylphenyl)sulfonylpiperazine?
The InChIKey is MLLVICJNGBCGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-10-4-3-5-11(8-10)17(15,16)12-9-14(2)7-6-13-12/h3-5,8,12-13H,6-7,9H2,1-2H3.
What are the key properties of 1-methyl-3-(3-methylphenyl)sulfonylpiperazine?
1-methyl-3-(3-methylphenyl)sulfonylpiperazine has a molecular weight of 254.35 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 117037188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).