1-[(2,5-dimethoxyphenyl)sulfanylmethyl]piperazine

C13H20N2O2S — CID 117033913

IUPAC1-[(2,5-dimethoxyphenyl)sulfanylmethyl]piperazine
SMILESCOc1ccc(OC)c(SCN2CCNCC2)c1
InChIInChI=1S/C13H20N2O2S/c1-16-11-3-4-12(17-2)13(9-11)18-10-15-7-5-14-6-8-15/h3-4,9,14H,5-8,10H2,1-2H3
InChIKeyMVSMKIMLOKVXEX-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.66
Rot. Bonds5

About 1-[(2,5-dimethoxyphenyl)sulfanylmethyl]piperazine

1-[(2,5-dimethoxyphenyl)sulfanylmethyl]piperazine (PubChem CID 117033913) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-[(2,5-dimethoxyphenyl)sulfanylmethyl]piperazine.

Molecular Properties

Compound Name1-[(2,5-dimethoxyphenyl)sulfanylmethyl]piperazine
PubChem CID117033913
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-[(2,5-dimethoxyphenyl)sulfanylmethyl]piperazine
SMILESCOc1ccc(OC)c(SCN2CCNCC2)c1
InChIInChI=1S/C13H20N2O2S/c1-16-11-3-4-12(17-2)13(9-11)18-10-15-7-5-14-6-8-15/h3-4,9,14H,5-8,10H2,1-2H3
InChIKeyMVSMKIMLOKVXEX-UHFFFAOYSA-N
XLogP1.66
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82093877
5-methoxy-1-methyl-2-(piperazin-1-ylmethylsulfanyl)benzimidazole
CID 84617194
2-(2,5-dimethoxyphenyl)sulfanylacetate
CID 6928078
1-(2,4-dimethoxyphenyl)sulfanylpiperazine
CID 117033871
1-(4-methoxyphenyl)-2-piperazin-1-ylethanamine
CID 82291368
N-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;hydrochloride
CID 132785417
N-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;dihydrochloride
CID 56773506
1-(2,5-dimethoxyphenyl)-2-piperazin-1-ylpropan-1-ol
CID 82265663
3-(1,4-diazepan-1-yl)-1-(2,5-dimethoxyphenyl)propan-1-one
CID 82064893
2-(2,5-dimethoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119446777
4-methoxy-2-(1,4,7-triazonan-1-ylmethyl)phenol
CID 165144364
1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171274106

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethoxyphenyl)sulfanylmethyl]piperazine?
The IUPAC name of 1-[(2,5-dimethoxyphenyl)sulfanylmethyl]piperazine (CID 117033913) is 1-[(2,5-dimethoxyphenyl)sulfanylmethyl]piperazine.
What is the SMILES notation for 1-[(2,5-dimethoxyphenyl)sulfanylmethyl]piperazine?
The canonical SMILES for 1-[(2,5-dimethoxyphenyl)sulfanylmethyl]piperazine is COc1ccc(OC)c(SCN2CCNCC2)c1.
What is the InChIKey of 1-[(2,5-dimethoxyphenyl)sulfanylmethyl]piperazine?
The InChIKey is MVSMKIMLOKVXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-16-11-3-4-12(17-2)13(9-11)18-10-15-7-5-14-6-8-15/h3-4,9,14H,5-8,10H2,1-2H3.
What are the key properties of 1-[(2,5-dimethoxyphenyl)sulfanylmethyl]piperazine?
1-[(2,5-dimethoxyphenyl)sulfanylmethyl]piperazine has a molecular weight of 268.38 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethoxyphenyl)sulfanylmethyl]piperazine is sourced from PubChem (CID 117033913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).