2-(4-methylpiperazin-1-yl)ethanesulfonyl chloride;dihydrochloride

C7H17Cl3N2O2S — CID 139026799

IUPAC2-(4-methylpiperazin-1-yl)ethanesulfonyl chloride;dihydrochloride
SMILESCN1CCN(CCS(=O)(=O)Cl)CC1.Cl.Cl
InChIInChI=1S/C7H15ClN2O2S.2ClH/c1-9-2-4-10(5-3-9)6-7-13(8,11)12;;/h2-7H2,1H3;2*1H
InChIKeyWUEJHOUNLMEMKL-UHFFFAOYSA-N
MW299.65 g/mol
LogP0.65
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)ethanesulfonyl chloride;dihydrochloride

2-(4-methylpiperazin-1-yl)ethanesulfonyl chloride;dihydrochloride (PubChem CID 139026799) has the molecular formula C7H17Cl3N2O2S and a molecular weight of 299.65 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)ethanesulfonyl chloride;dihydrochloride.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)ethanesulfonyl chloride;dihydrochloride
PubChem CID139026799
Molecular FormulaC7H17Cl3N2O2S
Molecular Weight299.65 g/mol
Exact Mass298.01
IUPAC Name2-(4-methylpiperazin-1-yl)ethanesulfonyl chloride;dihydrochloride
SMILESCN1CCN(CCS(=O)(=O)Cl)CC1.Cl.Cl
InChIInChI=1S/C7H15ClN2O2S.2ClH/c1-9-2-4-10(5-3-9)6-7-13(8,11)12;;/h2-7H2,1H3;2*1H
InChIKeyWUEJHOUNLMEMKL-UHFFFAOYSA-N
XLogP0.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.65
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)ethanesulfonyl chloride;dihydrochloride?
The IUPAC name of 2-(4-methylpiperazin-1-yl)ethanesulfonyl chloride;dihydrochloride (CID 139026799) is 2-(4-methylpiperazin-1-yl)ethanesulfonyl chloride;dihydrochloride.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)ethanesulfonyl chloride;dihydrochloride?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)ethanesulfonyl chloride;dihydrochloride is CN1CCN(CCS(=O)(=O)Cl)CC1.Cl.Cl.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)ethanesulfonyl chloride;dihydrochloride?
The InChIKey is WUEJHOUNLMEMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClN2O2S.2ClH/c1-9-2-4-10(5-3-9)6-7-13(8,11)12;;/h2-7H2,1H3;2*1H.
What are the key properties of 2-(4-methylpiperazin-1-yl)ethanesulfonyl chloride;dihydrochloride?
2-(4-methylpiperazin-1-yl)ethanesulfonyl chloride;dihydrochloride has a molecular weight of 299.65 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)ethanesulfonyl chloride;dihydrochloride is sourced from PubChem (CID 139026799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).