2-methyl-1-(4-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine

C16H20N2O2S2 — CID 3402745

IUPAC2-methyl-1-(4-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine
SMILESCc1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2C)cc1
InChIInChI=1S/C16H20N2O2S2/c1-13-5-7-15(8-6-13)18-10-9-17(12-14(18)2)22(19,20)16-4-3-11-21-16/h3-8,11,14H,9-10,12H2,1-2H3
InChIKeyUTWMTBSTTGAIBT-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.96
Rot. Bonds3

About 2-methyl-1-(4-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine

2-methyl-1-(4-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 3402745) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-methyl-1-(4-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name2-methyl-1-(4-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine
PubChem CID3402745
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC Name2-methyl-1-(4-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine
SMILESCc1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2C)cc1
InChIInChI=1S/C16H20N2O2S2/c1-13-5-7-15(8-6-13)18-10-9-17(12-14(18)2)22(19,20)16-4-3-11-21-16/h3-8,11,14H,9-10,12H2,1-2H3
InChIKeyUTWMTBSTTGAIBT-UHFFFAOYSA-N
XLogP2.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

MK6-83
CID 18191179
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CID 738300
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CID 2738607
N-(1-(ethylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)thiophene-2-sulfonamide
CID 20963034
N-Isobutyl-N-[5-(4-methanesulfonylamino-phenyl)-thiophen-2-ylmethyl]-C-phenyl-methanesulfonamide
CID 71622397
1-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-thiophen-3-ylthiazinan-2-yl]methyl]phenyl]piperazin-1-yl]ethanone
CID 122644619
1-[2-(4-Methylphenyl)sulfonylethyl]-4-phenylpiperazine
CID 674306
1-(2-Fluoro-phenyl)-4-(thiophene-2-sulfonyl)-piperazine
CID 893389
1-Benzyl-4-(thiophene-2-sulfonyl)-piperazine
CID 649627
(4-Piperidylphenyl)(2-thienylsulfonyl)amine
CID 718035
(4-(Dimethylamino)phenyl)(4-(phenylsulfonyl)piperazin-1-yl)methanethione
CID 2146184
N-(2-propan-2-ylphenyl)-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide
CID 2543765

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 2-methyl-1-(4-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine (CID 3402745) is 2-methyl-1-(4-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 2-methyl-1-(4-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 2-methyl-1-(4-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine is Cc1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2C)cc1.
What is the InChIKey of 2-methyl-1-(4-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is UTWMTBSTTGAIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c1-13-5-7-15(8-6-13)18-10-9-17(12-14(18)2)22(19,20)16-4-3-11-21-16/h3-8,11,14H,9-10,12H2,1-2H3.
What are the key properties of 2-methyl-1-(4-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine?
2-methyl-1-(4-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 336.48 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 3402745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).