1-(2,3-dimethylphenyl)-4-thiophen-2-ylsulfonylpiperazine

C16H20N2O2S2 — CID 894111

IUPAC1-(2,3-dimethylphenyl)-4-thiophen-2-ylsulfonylpiperazine
SMILESCc1cccc(N2CCN(S(=O)(=O)c3cccs3)CC2)c1C
InChIInChI=1S/C16H20N2O2S2/c1-13-5-3-6-15(14(13)2)17-8-10-18(11-9-17)22(19,20)16-7-4-12-21-16/h3-7,12H,8-11H2,1-2H3
InChIKeyWWQHGPSHUHDJFS-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.88
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-4-thiophen-2-ylsulfonylpiperazine

1-(2,3-dimethylphenyl)-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 894111) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-4-thiophen-2-ylsulfonylpiperazine
PubChem CID894111
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC Name1-(2,3-dimethylphenyl)-4-thiophen-2-ylsulfonylpiperazine
SMILESCc1cccc(N2CCN(S(=O)(=O)c3cccs3)CC2)c1C
InChIInChI=1S/C16H20N2O2S2/c1-13-5-3-6-15(14(13)2)17-8-10-18(11-9-17)22(19,20)16-7-4-12-21-16/h3-7,12H,8-11H2,1-2H3
InChIKeyWWQHGPSHUHDJFS-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Phenyl-4-(2-thienylsulfonyl)piperazine
CID 738300
N-ethyl-N-naphthalen-1-ylthiophene-2-sulfonamide
CID 2474125
2,5-dimethyl-N-[4-(4-methylpiperazino)benzyl]-3-thiophenesulfonamide
CID 2738607
[4-(2,3-Dimethylphenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 15988657
1-(2,3-Dimethyl-phenyl)-4-[4-(pyrrolidine-1-sulfonyl)-benzenesulfonyl]-piperazine
CID 1168488
1-(2,3-Dimethylphenyl)-4-[3-(2-thienyl)acryloyl]piperazine
CID 2169715
N-(2-propan-2-ylphenyl)-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide
CID 2543765
7-Fluoro-2-methyl-1-(2-thienylsulfonyl)-1,2,3,4-tetrahydroquinoline
CID 2942513
4-[4-(2,3-Dimethylphenyl)piperazin-1-ylsulfonyl]thiophene-2-carboxamide
CID 6486055
4-methyl-N-(1-(4-phenylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)benzenesulfonamide
CID 9550484
N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl}thiophene-2-sulfonamide
CID 9551079
1-(2,3-Dimethylphenyl)-4-[(5-methylthiophen-3-yl)methyl]piperazine
CID 16019087

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 1-(2,3-dimethylphenyl)-4-thiophen-2-ylsulfonylpiperazine (CID 894111) is 1-(2,3-dimethylphenyl)-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-4-thiophen-2-ylsulfonylpiperazine is Cc1cccc(N2CCN(S(=O)(=O)c3cccs3)CC2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is WWQHGPSHUHDJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c1-13-5-3-6-15(14(13)2)17-8-10-18(11-9-17)22(19,20)16-7-4-12-21-16/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 1-(2,3-dimethylphenyl)-4-thiophen-2-ylsulfonylpiperazine?
1-(2,3-dimethylphenyl)-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 336.48 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 894111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).