1-(3,4-dimethoxyphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine

C17H22N2O4S2 — CID 9166109

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(Cc3cccs3)CC2)cc1OC
InChIInChI=1S/C17H22N2O4S2/c1-22-16-6-5-15(12-17(16)23-2)25(20,21)19-9-7-18(8-10-19)13-14-4-3-11-24-14/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyIXKFTSWKXKTRMA-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.27
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine

1-(3,4-dimethoxyphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine (PubChem CID 9166109) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine
PubChem CID9166109
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(Cc3cccs3)CC2)cc1OC
InChIInChI=1S/C17H22N2O4S2/c1-22-16-6-5-15(12-17(16)23-2)25(20,21)19-9-7-18(8-10-19)13-14-4-3-11-24-14/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyIXKFTSWKXKTRMA-UHFFFAOYSA-N
XLogP2.27
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(3,4-dimethoxyphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-Methoxy-benzenesulfonyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 1147989
3,4-dimethoxy-N-[2-(phenylsulfonyl)-2-(2-thienyl)ethyl]benzenesulfonamide
CID 16032959
2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 16299295
8-((3,4-Dimethoxyphenyl)sulfonyl)-4-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16830283
N-cyclopentyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 665629
N-(2-cyanoethyl)-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 141519184
2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 16302838
1-[(3,4-Dimethoxyphenyl)sulfonyl]-4-[(5-propyl-3-thienyl)carbonyl]piperazine
CID 1245196
4-[(3,4-Dimethoxyphenyl)sulfonyl]piperazinyl 2-thienyl ketone
CID 1247100
2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 16299336
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 16300722
2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 16330594

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine (CID 9166109) is 1-(3,4-dimethoxyphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine is COc1ccc(S(=O)(=O)N2CCN(Cc3cccs3)CC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine?
The InChIKey is IXKFTSWKXKTRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c1-22-16-6-5-15(12-17(16)23-2)25(20,21)19-9-7-18(8-10-19)13-14-4-3-11-24-14/h3-6,11-12H,7-10,13H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine?
1-(3,4-dimethoxyphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine has a molecular weight of 382.51 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine is sourced from PubChem (CID 9166109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).