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

C12H24ClN5O2S — CID 120871028

IUPACN-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)NCCN1CCNCC1c1nccn1C.Cl
InChIInChI=1S/C12H23N5O2S.ClH/c1-3-20(18,19)15-6-9-17-8-4-13-10-11(17)12-14-5-7-16(12)2;/h5,7,11,13,15H,3-4,6,8-10H2,1-2H3;1H
InChIKeyJFDSKXBRJAREBV-UHFFFAOYSA-N
MW337.88 g/mol
LogP-0.27
Rot. Bonds6

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

N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]ethanesulfonamide;hydrochloride (PubChem CID 120871028) has the molecular formula C12H24ClN5O2S and a molecular weight of 337.88 g/mol. Its IUPAC name is N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]ethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]ethanesulfonamide;hydrochloride
PubChem CID120871028
Molecular FormulaC12H24ClN5O2S
Molecular Weight337.88 g/mol
Exact Mass337.13
IUPAC NameN-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)NCCN1CCNCC1c1nccn1C.Cl
InChIInChI=1S/C12H23N5O2S.ClH/c1-3-20(18,19)15-6-9-17-8-4-13-10-11(17)12-14-5-7-16(12)2;/h5,7,11,13,15H,3-4,6,8-10H2,1-2H3;1H
InChIKeyJFDSKXBRJAREBV-UHFFFAOYSA-N
XLogP-0.27
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.88
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylethyl]ethanesulfonamide;hydrochloride
CID 120894941
N-ethyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120967367
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-propylacetamide
CID 120870905
N-cyclopentyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871110
1-(cyclohexylmethyl)-2-(1-methylimidazol-2-yl)piperazine
CID 120871025
4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride
CID 120870468
2-(1-methylimidazol-2-yl)-1-prop-2-enylpiperazine
CID 120869704
2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride
CID 120869705
1-(1-ethylimidazol-4-yl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894839
2-(1-methylimidazol-2-yl)-1-[2-(4-methylsulfonylphenoxy)ethyl]piperazine
CID 120871041
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
2-(1-methylimidazol-2-yl)-1-[2-(4-propoxyphenoxy)ethyl]piperazine
CID 120870925

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]ethanesulfonamide;hydrochloride?
The IUPAC name of N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]ethanesulfonamide;hydrochloride (CID 120871028) is N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]ethanesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]ethanesulfonamide;hydrochloride?
The canonical SMILES for N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]ethanesulfonamide;hydrochloride is CCS(=O)(=O)NCCN1CCNCC1c1nccn1C.Cl.
What is the InChIKey of N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]ethanesulfonamide;hydrochloride?
The InChIKey is JFDSKXBRJAREBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S.ClH/c1-3-20(18,19)15-6-9-17-8-4-13-10-11(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]ethyl]ethanesulfonamide;hydrochloride?
N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]ethanesulfonamide;hydrochloride has a molecular weight of 337.88 g/mol, XLogP of -0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]ethanesulfonamide;hydrochloride is sourced from PubChem (CID 120871028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).