4-methylpiperazine-1-sulfonyl chloride

C5H11ClN2O2S — CID 11171617

IUPAC4-methylpiperazine-1-sulfonyl chloride
SMILESCN1CCN(S(=O)(=O)Cl)CC1
InChIInChI=1S/C5H11ClN2O2S/c1-7-2-4-8(5-3-7)11(6,9)10/h2-5H2,1H3
InChIKeyGDYYZWFHNRVHCC-UHFFFAOYSA-N
MW198.67 g/mol
LogP-0.28
Rot. Bonds1

About 4-methylpiperazine-1-sulfonyl chloride

4-methylpiperazine-1-sulfonyl chloride (PubChem CID 11171617) has the molecular formula C5H11ClN2O2S and a molecular weight of 198.67 g/mol. Its IUPAC name is 4-methylpiperazine-1-sulfonyl chloride.

Molecular Properties

Compound Name4-methylpiperazine-1-sulfonyl chloride
PubChem CID11171617
Molecular FormulaC5H11ClN2O2S
Molecular Weight198.67 g/mol
Exact Mass198.02
IUPAC Name4-methylpiperazine-1-sulfonyl chloride
SMILESCN1CCN(S(=O)(=O)Cl)CC1
InChIInChI=1S/C5H11ClN2O2S/c1-7-2-4-8(5-3-7)11(6,9)10/h2-5H2,1H3
InChIKeyGDYYZWFHNRVHCC-UHFFFAOYSA-N
XLogP-0.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.67
LogP ≤ 5-0.28
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?
The IUPAC name of 4-methylpiperazine-1-sulfonyl chloride (CID 11171617) is 4-methylpiperazine-1-sulfonyl chloride.
What is the SMILES notation for 4-methylpiperazine-1-sulfonyl chloride?
The canonical SMILES for 4-methylpiperazine-1-sulfonyl chloride is CN1CCN(S(=O)(=O)Cl)CC1.
What is the InChIKey of 4-methylpiperazine-1-sulfonyl chloride?
The InChIKey is GDYYZWFHNRVHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClN2O2S/c1-7-2-4-8(5-3-7)11(6,9)10/h2-5H2,1H3.
What are the key properties of 4-methylpiperazine-1-sulfonyl chloride?
4-methylpiperazine-1-sulfonyl chloride has a molecular weight of 198.67 g/mol, XLogP of -0.28, 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 is sourced from PubChem (CID 11171617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).