N-ethyl-N-methyl-2-(1-methylimidazol-2-yl)piperazine-1-sulfonamide

C11H21N5O2S — CID 120894744

IUPACN-ethyl-N-methyl-2-(1-methylimidazol-2-yl)piperazine-1-sulfonamide
SMILESCCN(C)S(=O)(=O)N1CCNCC1c1nccn1C
InChIInChI=1S/C11H21N5O2S/c1-4-15(3)19(17,18)16-8-5-12-9-10(16)11-13-6-7-14(11)2/h6-7,10,12H,4-5,8-9H2,1-3H3
InChIKeyOHSFYCGCZOVHLP-UHFFFAOYSA-N
MW287.39 g/mol
LogP-0.44
Rot. Bonds4

About N-ethyl-N-methyl-2-(1-methylimidazol-2-yl)piperazine-1-sulfonamide

N-ethyl-N-methyl-2-(1-methylimidazol-2-yl)piperazine-1-sulfonamide (PubChem CID 120894744) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-(1-methylimidazol-2-yl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-(1-methylimidazol-2-yl)piperazine-1-sulfonamide
PubChem CID120894744
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC NameN-ethyl-N-methyl-2-(1-methylimidazol-2-yl)piperazine-1-sulfonamide
SMILESCCN(C)S(=O)(=O)N1CCNCC1c1nccn1C
InChIInChI=1S/C11H21N5O2S/c1-4-15(3)19(17,18)16-8-5-12-9-10(16)11-13-6-7-14(11)2/h6-7,10,12H,4-5,8-9H2,1-3H3
InChIKeyOHSFYCGCZOVHLP-UHFFFAOYSA-N
XLogP-0.44
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethylimidazol-4-yl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894839
1-cyclopropylsulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895125
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-(2-methoxyethylsulfonyl)-2-(1-methylimidazol-2-yl)piperazine
CID 120894912
N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylethyl]ethanesulfonamide;hydrochloride
CID 120894941
2-(1-methylimidazol-2-yl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine
CID 120894828
1-(4-ethoxyphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894665
1-(3-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894523
2-(1-methylimidazol-2-yl)-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride
CID 120895211
1-(2-chloro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120895074
1-(2-chlorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894581

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-(1-methylimidazol-2-yl)piperazine-1-sulfonamide?
The IUPAC name of N-ethyl-N-methyl-2-(1-methylimidazol-2-yl)piperazine-1-sulfonamide (CID 120894744) is N-ethyl-N-methyl-2-(1-methylimidazol-2-yl)piperazine-1-sulfonamide.
What is the SMILES notation for N-ethyl-N-methyl-2-(1-methylimidazol-2-yl)piperazine-1-sulfonamide?
The canonical SMILES for N-ethyl-N-methyl-2-(1-methylimidazol-2-yl)piperazine-1-sulfonamide is CCN(C)S(=O)(=O)N1CCNCC1c1nccn1C.
What is the InChIKey of N-ethyl-N-methyl-2-(1-methylimidazol-2-yl)piperazine-1-sulfonamide?
The InChIKey is OHSFYCGCZOVHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-4-15(3)19(17,18)16-8-5-12-9-10(16)11-13-6-7-14(11)2/h6-7,10,12H,4-5,8-9H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-2-(1-methylimidazol-2-yl)piperazine-1-sulfonamide?
N-ethyl-N-methyl-2-(1-methylimidazol-2-yl)piperazine-1-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of -0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-(1-methylimidazol-2-yl)piperazine-1-sulfonamide is sourced from PubChem (CID 120894744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).