1-(2-methoxyethylsulfonyl)-2-(1-methylimidazol-2-yl)piperazine

C11H20N4O3S — CID 120894912

IUPAC1-(2-methoxyethylsulfonyl)-2-(1-methylimidazol-2-yl)piperazine
SMILESCOCCS(=O)(=O)N1CCNCC1c1nccn1C
InChIInChI=1S/C11H20N4O3S/c1-14-5-4-13-11(14)10-9-12-3-6-15(10)19(16,17)8-7-18-2/h4-5,10,12H,3,6-9H2,1-2H3
InChIKeyVWZDJVPZIYJJKA-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.66
Rot. Bonds5

About 1-(2-methoxyethylsulfonyl)-2-(1-methylimidazol-2-yl)piperazine

1-(2-methoxyethylsulfonyl)-2-(1-methylimidazol-2-yl)piperazine (PubChem CID 120894912) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-(2-methoxyethylsulfonyl)-2-(1-methylimidazol-2-yl)piperazine.

Molecular Properties

Compound Name1-(2-methoxyethylsulfonyl)-2-(1-methylimidazol-2-yl)piperazine
PubChem CID120894912
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name1-(2-methoxyethylsulfonyl)-2-(1-methylimidazol-2-yl)piperazine
SMILESCOCCS(=O)(=O)N1CCNCC1c1nccn1C
InChIInChI=1S/C11H20N4O3S/c1-14-5-4-13-11(14)10-9-12-3-6-15(10)19(16,17)8-7-18-2/h4-5,10,12H,3,6-9H2,1-2H3
InChIKeyVWZDJVPZIYJJKA-UHFFFAOYSA-N
XLogP-0.66
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2-methoxyethyl)phenyl]sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894479
N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylethyl]ethanesulfonamide;hydrochloride
CID 120894941
1-[2-(2-methoxyethoxy)phenyl]sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894537
1-cyclopropylsulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895125
N-ethyl-N-methyl-2-(1-methylimidazol-2-yl)piperazine-1-sulfonamide
CID 120894744
1-(4-ethylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895239
2-(1-methylimidazol-2-yl)-1-piperidin-1-ylsulfonylpiperazine
CID 120894552
1-[(3-chloro-4-fluorophenyl)methylsulfonyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120877089
1-(4-ethoxyphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894665
2-(1-methylimidazol-2-yl)-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride
CID 120895211
1-(4,5-dimethoxy-2-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895103
1-[4-(2,2-difluoroethoxy)phenyl]sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894653

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylsulfonyl)-2-(1-methylimidazol-2-yl)piperazine?
The IUPAC name of 1-(2-methoxyethylsulfonyl)-2-(1-methylimidazol-2-yl)piperazine (CID 120894912) is 1-(2-methoxyethylsulfonyl)-2-(1-methylimidazol-2-yl)piperazine.
What is the SMILES notation for 1-(2-methoxyethylsulfonyl)-2-(1-methylimidazol-2-yl)piperazine?
The canonical SMILES for 1-(2-methoxyethylsulfonyl)-2-(1-methylimidazol-2-yl)piperazine is COCCS(=O)(=O)N1CCNCC1c1nccn1C.
What is the InChIKey of 1-(2-methoxyethylsulfonyl)-2-(1-methylimidazol-2-yl)piperazine?
The InChIKey is VWZDJVPZIYJJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-14-5-4-13-11(14)10-9-12-3-6-15(10)19(16,17)8-7-18-2/h4-5,10,12H,3,6-9H2,1-2H3.
What are the key properties of 1-(2-methoxyethylsulfonyl)-2-(1-methylimidazol-2-yl)piperazine?
1-(2-methoxyethylsulfonyl)-2-(1-methylimidazol-2-yl)piperazine has a molecular weight of 288.37 g/mol, XLogP of -0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylsulfonyl)-2-(1-methylimidazol-2-yl)piperazine is sourced from PubChem (CID 120894912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).