1-(1-ethylimidazol-4-yl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride

C13H21ClN6O2S — CID 120894839

IUPAC1-(1-ethylimidazol-4-yl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
SMILESCCn1cnc(S(=O)(=O)N2CCNCC2c2nccn2C)c1.Cl
InChIInChI=1S/C13H20N6O2S.ClH/c1-3-18-9-12(16-10-18)22(20,21)19-7-4-14-8-11(19)13-15-5-6-17(13)2;/h5-6,9-11,14H,3-4,7-8H2,1-2H3;1H
InChIKeyMFERRKFXQVKZPI-UHFFFAOYSA-N
MW360.87 g/mol
LogP0.39
Rot. Bonds4

About 1-(1-ethylimidazol-4-yl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride

1-(1-ethylimidazol-4-yl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride (PubChem CID 120894839) has the molecular formula C13H21ClN6O2S and a molecular weight of 360.87 g/mol. Its IUPAC name is 1-(1-ethylimidazol-4-yl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(1-ethylimidazol-4-yl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
PubChem CID120894839
Molecular FormulaC13H21ClN6O2S
Molecular Weight360.87 g/mol
Exact Mass360.11
IUPAC Name1-(1-ethylimidazol-4-yl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
SMILESCCn1cnc(S(=O)(=O)N2CCNCC2c2nccn2C)c1.Cl
InChIInChI=1S/C13H20N6O2S.ClH/c1-3-18-9-12(16-10-18)22(20,21)19-7-4-14-8-11(19)13-15-5-6-17(13)2;/h5-6,9-11,14H,3-4,7-8H2,1-2H3;1H
InChIKeyMFERRKFXQVKZPI-UHFFFAOYSA-N
XLogP0.39
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-methylimidazol-2-yl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine
CID 120894828
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
1-(4-ethoxyphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894665
1-cyclopropylsulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895125
1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894343
N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylethyl]ethanesulfonamide;hydrochloride
CID 120894941
1-(3-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894523
1-(2-chlorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894581
1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894344
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]ethyl]ethanesulfonamide;hydrochloride
CID 120871028

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-4-yl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The IUPAC name of 1-(1-ethylimidazol-4-yl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride (CID 120894839) is 1-(1-ethylimidazol-4-yl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride.
What is the SMILES notation for 1-(1-ethylimidazol-4-yl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The canonical SMILES for 1-(1-ethylimidazol-4-yl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride is CCn1cnc(S(=O)(=O)N2CCNCC2c2nccn2C)c1.Cl.
What is the InChIKey of 1-(1-ethylimidazol-4-yl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The InChIKey is MFERRKFXQVKZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2S.ClH/c1-3-18-9-12(16-10-18)22(20,21)19-7-4-14-8-11(19)13-15-5-6-17(13)2;/h5-6,9-11,14H,3-4,7-8H2,1-2H3;1H.
What are the key properties of 1-(1-ethylimidazol-4-yl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
1-(1-ethylimidazol-4-yl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride has a molecular weight of 360.87 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-4-yl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride is sourced from PubChem (CID 120894839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).