1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-thiophen-2-ylethyl)piperazine

C18H24N2O4S2 — CID 3836701

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-thiophen-2-ylethyl)piperazine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(CCc3cccs3)CC2)c1
InChIInChI=1S/C18H24N2O4S2/c1-23-15-5-6-17(24-2)18(14-15)26(21,22)20-11-9-19(10-12-20)8-7-16-4-3-13-25-16/h3-6,13-14H,7-12H2,1-2H3
InChIKeyOAMWQPDEGBXTIW-UHFFFAOYSA-N
MW396.53 g/mol
LogP2.31
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-thiophen-2-ylethyl)piperazine

1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-thiophen-2-ylethyl)piperazine (PubChem CID 3836701) has the molecular formula C18H24N2O4S2 and a molecular weight of 396.53 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-thiophen-2-ylethyl)piperazine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-thiophen-2-ylethyl)piperazine
PubChem CID3836701
Molecular FormulaC18H24N2O4S2
Molecular Weight396.53 g/mol
Exact Mass396.12
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-thiophen-2-ylethyl)piperazine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(CCc3cccs3)CC2)c1
InChIInChI=1S/C18H24N2O4S2/c1-23-15-5-6-17(24-2)18(14-15)26(21,22)20-11-9-19(10-12-20)8-7-16-4-3-13-25-16/h3-6,13-14H,7-12H2,1-2H3
InChIKeyOAMWQPDEGBXTIW-UHFFFAOYSA-N
XLogP2.31
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazine
CID 8804090
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CID 90633037
1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90534054
4-[2-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]morpholine
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CID 35881835
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3853607
1-(2,5-dimethoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine
CID 51307414
2-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43061554
4-(2,5-dimethoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721462
1-[4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 60580836
4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]sulfonylaniline
CID 2052121
4-(2,5-dimethoxyphenyl)sulfonyl-1,4-oxazepane
CID 4987826

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-thiophen-2-ylethyl)piperazine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-thiophen-2-ylethyl)piperazine (CID 3836701) is 1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-thiophen-2-ylethyl)piperazine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-thiophen-2-ylethyl)piperazine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-thiophen-2-ylethyl)piperazine is COc1ccc(OC)c(S(=O)(=O)N2CCN(CCc3cccs3)CC2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-thiophen-2-ylethyl)piperazine?
The InChIKey is OAMWQPDEGBXTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S2/c1-23-15-5-6-17(24-2)18(14-15)26(21,22)20-11-9-19(10-12-20)8-7-16-4-3-13-25-16/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-thiophen-2-ylethyl)piperazine?
1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-thiophen-2-ylethyl)piperazine has a molecular weight of 396.53 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-thiophen-2-ylethyl)piperazine is sourced from PubChem (CID 3836701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).