4-methylpiperazine-1-sulfonyl chloride;hydrochloride

C5H12Cl2N2O2S — CID 18798705

IUPAC4-methylpiperazine-1-sulfonyl chloride;hydrochloride
SMILESCN1CCN(S(=O)(=O)Cl)CC1.Cl
InChIInChI=1S/C5H11ClN2O2S.ClH/c1-7-2-4-8(5-3-7)11(6,9)10;/h2-5H2,1H3;1H
InChIKeyAYGQXEFMLQQXOD-UHFFFAOYSA-N
MW235.14 g/mol
LogP0.14
Rot. Bonds1

About 4-methylpiperazine-1-sulfonyl chloride;hydrochloride

4-methylpiperazine-1-sulfonyl chloride;hydrochloride (PubChem CID 18798705) has the molecular formula C5H12Cl2N2O2S and a molecular weight of 235.14 g/mol. Its IUPAC name is 4-methylpiperazine-1-sulfonyl chloride;hydrochloride.

Molecular Properties

Compound Name4-methylpiperazine-1-sulfonyl chloride;hydrochloride
PubChem CID18798705
Molecular FormulaC5H12Cl2N2O2S
Molecular Weight235.14 g/mol
Exact Mass234.00
IUPAC Name4-methylpiperazine-1-sulfonyl chloride;hydrochloride
SMILESCN1CCN(S(=O)(=O)Cl)CC1.Cl
InChIInChI=1S/C5H11ClN2O2S.ClH/c1-7-2-4-8(5-3-7)11(6,9)10;/h2-5H2,1H3;1H
InChIKeyAYGQXEFMLQQXOD-UHFFFAOYSA-N
XLogP0.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.14
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylpiperazine-1-sulfonyl chloride;hydrochloride?
The IUPAC name of 4-methylpiperazine-1-sulfonyl chloride;hydrochloride (CID 18798705) is 4-methylpiperazine-1-sulfonyl chloride;hydrochloride.
What is the SMILES notation for 4-methylpiperazine-1-sulfonyl chloride;hydrochloride?
The canonical SMILES for 4-methylpiperazine-1-sulfonyl chloride;hydrochloride is CN1CCN(S(=O)(=O)Cl)CC1.Cl.
What is the InChIKey of 4-methylpiperazine-1-sulfonyl chloride;hydrochloride?
The InChIKey is AYGQXEFMLQQXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClN2O2S.ClH/c1-7-2-4-8(5-3-7)11(6,9)10;/h2-5H2,1H3;1H.
What are the key properties of 4-methylpiperazine-1-sulfonyl chloride;hydrochloride?
4-methylpiperazine-1-sulfonyl chloride;hydrochloride has a molecular weight of 235.14 g/mol, XLogP of 0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpiperazine-1-sulfonyl chloride;hydrochloride is sourced from PubChem (CID 18798705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).