N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylethyl]ethanesulfonamide;hydrochloride

C12H24ClN5O4S2 — CID 120894941

IUPACN-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylethyl]ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)NCCS(=O)(=O)N1CCNCC1c1nccn1C.Cl
InChIInChI=1S/C12H23N5O4S2.ClH/c1-3-22(18,19)15-6-9-23(20,21)17-8-4-13-10-11(17)12-14-5-7-16(12)2;/h5,7,11,13,15H,3-4,6,8-10H2,1-2H3;1H
InChIKeyZYFHVPYGOBXWIL-UHFFFAOYSA-N
MW401.94 g/mol
LogP-0.94
Rot. Bonds7

About N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylethyl]ethanesulfonamide;hydrochloride

N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylethyl]ethanesulfonamide;hydrochloride (PubChem CID 120894941) has the molecular formula C12H24ClN5O4S2 and a molecular weight of 401.94 g/mol. Its IUPAC name is N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylethyl]ethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylethyl]ethanesulfonamide;hydrochloride
PubChem CID120894941
Molecular FormulaC12H24ClN5O4S2
Molecular Weight401.94 g/mol
Exact Mass401.10
IUPAC NameN-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylethyl]ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)NCCS(=O)(=O)N1CCNCC1c1nccn1C.Cl
InChIInChI=1S/C12H23N5O4S2.ClH/c1-3-22(18,19)15-6-9-23(20,21)17-8-4-13-10-11(17)12-14-5-7-16(12)2;/h5,7,11,13,15H,3-4,6,8-10H2,1-2H3;1H
InChIKeyZYFHVPYGOBXWIL-UHFFFAOYSA-N
XLogP-0.94
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]ethanesulfonamide;hydrochloride
CID 120871028
1-(2-methoxyethylsulfonyl)-2-(1-methylimidazol-2-yl)piperazine
CID 120894912
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
1-(1-ethylimidazol-4-yl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894839
1-(4-ethoxyphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894665
2-(1-methylimidazol-2-yl)-1-piperidin-1-ylsulfonylpiperazine
CID 120894552
2-(1-methylimidazol-2-yl)-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride
CID 120895211
1-[4-(2-methoxyethyl)phenyl]sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894479
1-[(3-chloro-4-fluorophenyl)methylsulfonyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120877089
2-(1-methylimidazol-2-yl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine
CID 120894828

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylethyl]ethanesulfonamide;hydrochloride?
The IUPAC name of N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylethyl]ethanesulfonamide;hydrochloride (CID 120894941) is N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylethyl]ethanesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylethyl]ethanesulfonamide;hydrochloride?
The canonical SMILES for N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylethyl]ethanesulfonamide;hydrochloride is CCS(=O)(=O)NCCS(=O)(=O)N1CCNCC1c1nccn1C.Cl.
What is the InChIKey of N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylethyl]ethanesulfonamide;hydrochloride?
The InChIKey is ZYFHVPYGOBXWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O4S2.ClH/c1-3-22(18,19)15-6-9-23(20,21)17-8-4-13-10-11(17)12-14-5-7-16(12)2;/h5,7,11,13,15H,3-4,6,8-10H2,1-2H3;1H.
What are the key properties of N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylethyl]ethanesulfonamide;hydrochloride?
N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylethyl]ethanesulfonamide;hydrochloride has a molecular weight of 401.94 g/mol, XLogP of -0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylethyl]ethanesulfonamide;hydrochloride is sourced from PubChem (CID 120894941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).