2-methyl-1-(3-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine

C16H20N2O2S2 — CID 4538990

IUPAC2-methyl-1-(3-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine
SMILESCc1cccc(N2CCN(S(=O)(=O)c3cccs3)CC2C)c1
InChIInChI=1S/C16H20N2O2S2/c1-13-5-3-6-15(11-13)18-9-8-17(12-14(18)2)22(19,20)16-7-4-10-21-16/h3-7,10-11,14H,8-9,12H2,1-2H3
InChIKeyOSZMNCAOJXMWPD-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.96
Rot. Bonds3

About 2-methyl-1-(3-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine

2-methyl-1-(3-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 4538990) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-methyl-1-(3-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name2-methyl-1-(3-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine
PubChem CID4538990
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC Name2-methyl-1-(3-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine
SMILESCc1cccc(N2CCN(S(=O)(=O)c3cccs3)CC2C)c1
InChIInChI=1S/C16H20N2O2S2/c1-13-5-3-6-15(11-13)18-9-8-17(12-14(18)2)22(19,20)16-7-4-10-21-16/h3-7,10-11,14H,8-9,12H2,1-2H3
InChIKeyOSZMNCAOJXMWPD-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

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Related Compounds

4-(benzenesulfonyl)-2-methyl-1-(3-methylphenyl)piperazine
CID 3406889
4-(2-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine
CID 23741901
3-methyl-5-[5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,2-oxazole
CID 20936224
2-methyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine
CID 42930811
4-(3-bromophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine
CID 3393919
1,1,1-trifluoro-2-[4-[(2S)-2-methyl-4-thiophen-2-ylsulfonylpiperazin-1-yl]phenyl]propan-2-ol
CID 56932932
N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide
CID 15995654
6-methyl-5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
CID 4071561
4-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine
CID 3315256
1,4-dimethyl-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylquinoxaline-2,3-dione
CID 3244269
methyl 3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-4-(4-methylphenyl)thiophene-2-carboxylate
CID 16956730
(2R)-2-methyl-1-(3-methylphenyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 7042227

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 2-methyl-1-(3-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine (CID 4538990) is 2-methyl-1-(3-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 2-methyl-1-(3-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 2-methyl-1-(3-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine is Cc1cccc(N2CCN(S(=O)(=O)c3cccs3)CC2C)c1.
What is the InChIKey of 2-methyl-1-(3-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is OSZMNCAOJXMWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c1-13-5-3-6-15(11-13)18-9-8-17(12-14(18)2)22(19,20)16-7-4-10-21-16/h3-7,10-11,14H,8-9,12H2,1-2H3.
What are the key properties of 2-methyl-1-(3-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine?
2-methyl-1-(3-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-(3-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 4538990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).