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

C15H18N2O2S2 — CID 6470203

IUPAC1-(2-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine
SMILESCc1ccccc1N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H18N2O2S2/c1-13-5-2-3-6-14(13)16-8-10-17(11-9-16)21(18,19)15-7-4-12-20-15/h2-7,12H,8-11H2,1H3
InChIKeyZJIZMTWKSKLDBR-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.57
Rot. Bonds3

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

1-(2-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 6470203) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-(2-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine
PubChem CID6470203
Molecular FormulaC15H18N2O2S2
Molecular Weight322.45 g/mol
Exact Mass322.08
IUPAC Name1-(2-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine
SMILESCc1ccccc1N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H18N2O2S2/c1-13-5-2-3-6-14(13)16-8-10-17(11-9-16)21(18,19)15-7-4-12-20-15/h2-7,12H,8-11H2,1H3
InChIKeyZJIZMTWKSKLDBR-UHFFFAOYSA-N
XLogP2.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

MK6-83
CID 18191179
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1-(Thiophene-2-sulfonyl)-2,3-dihydro-1H-indole
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1-Benzenesulfonyl-4-o-tolyl-piperazine
CID 740952
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
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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 1-(2-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine (CID 6470203) is 1-(2-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-(2-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-(2-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine is Cc1ccccc1N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 1-(2-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is ZJIZMTWKSKLDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-13-5-2-3-6-14(13)16-8-10-17(11-9-16)21(18,19)15-7-4-12-20-15/h2-7,12H,8-11H2,1H3.
What are the key properties of 1-(2-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine?
1-(2-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 322.45 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 6470203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).