4-methylpiperazine-1-sulfonyl fluoride

C5H11FN2O2S — CID 88582037

IUPAC4-methylpiperazine-1-sulfonyl fluoride
SMILESCN1CCN(S(=O)(=O)F)CC1
InChIInChI=1S/C5H11FN2O2S/c1-7-2-4-8(5-3-7)11(6,9)10/h2-5H2,1H3
InChIKeyBAKNQQMEVVTLAB-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.55
Rot. Bonds1

About 4-methylpiperazine-1-sulfonyl fluoride

4-methylpiperazine-1-sulfonyl fluoride (PubChem CID 88582037) has the molecular formula C5H11FN2O2S and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-methylpiperazine-1-sulfonyl fluoride.

Molecular Properties

Compound Name4-methylpiperazine-1-sulfonyl fluoride
PubChem CID88582037
Molecular FormulaC5H11FN2O2S
Molecular Weight182.22 g/mol
Exact Mass182.05
IUPAC Name4-methylpiperazine-1-sulfonyl fluoride
SMILESCN1CCN(S(=O)(=O)F)CC1
InChIInChI=1S/C5H11FN2O2S/c1-7-2-4-8(5-3-7)11(6,9)10/h2-5H2,1H3
InChIKeyBAKNQQMEVVTLAB-UHFFFAOYSA-N
XLogP-0.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.55
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 fluoride?
The IUPAC name of 4-methylpiperazine-1-sulfonyl fluoride (CID 88582037) is 4-methylpiperazine-1-sulfonyl fluoride.
What is the SMILES notation for 4-methylpiperazine-1-sulfonyl fluoride?
The canonical SMILES for 4-methylpiperazine-1-sulfonyl fluoride is CN1CCN(S(=O)(=O)F)CC1.
What is the InChIKey of 4-methylpiperazine-1-sulfonyl fluoride?
The InChIKey is BAKNQQMEVVTLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FN2O2S/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 fluoride?
4-methylpiperazine-1-sulfonyl fluoride has a molecular weight of 182.22 g/mol, XLogP of -0.55, 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 fluoride is sourced from PubChem (CID 88582037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).