2-(fluoromethyl)-1-methylsulfonylpiperazine

C6H13FN2O2S — CID 130440437

IUPAC2-(fluoromethyl)-1-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCNCC1CF
InChIInChI=1S/C6H13FN2O2S/c1-12(10,11)9-3-2-8-5-6(9)4-7/h6,8H,2-5H2,1H3
InChIKeyMTFUGAZFMNPKPJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.81
Rot. Bonds2

About 2-(fluoromethyl)-1-methylsulfonylpiperazine

2-(fluoromethyl)-1-methylsulfonylpiperazine (PubChem CID 130440437) has the molecular formula C6H13FN2O2S and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(fluoromethyl)-1-methylsulfonylpiperazine.

Molecular Properties

Compound Name2-(fluoromethyl)-1-methylsulfonylpiperazine
PubChem CID130440437
Molecular FormulaC6H13FN2O2S
Molecular Weight196.25 g/mol
Exact Mass196.07
IUPAC Name2-(fluoromethyl)-1-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCNCC1CF
InChIInChI=1S/C6H13FN2O2S/c1-12(10,11)9-3-2-8-5-6(9)4-7/h6,8H,2-5H2,1H3
InChIKeyMTFUGAZFMNPKPJ-UHFFFAOYSA-N
XLogP-0.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-1-methylsulfonylpiperazine?
The IUPAC name of 2-(fluoromethyl)-1-methylsulfonylpiperazine (CID 130440437) is 2-(fluoromethyl)-1-methylsulfonylpiperazine.
What is the SMILES notation for 2-(fluoromethyl)-1-methylsulfonylpiperazine?
The canonical SMILES for 2-(fluoromethyl)-1-methylsulfonylpiperazine is CS(=O)(=O)N1CCNCC1CF.
What is the InChIKey of 2-(fluoromethyl)-1-methylsulfonylpiperazine?
The InChIKey is MTFUGAZFMNPKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2O2S/c1-12(10,11)9-3-2-8-5-6(9)4-7/h6,8H,2-5H2,1H3.
What are the key properties of 2-(fluoromethyl)-1-methylsulfonylpiperazine?
2-(fluoromethyl)-1-methylsulfonylpiperazine has a molecular weight of 196.25 g/mol, XLogP of -0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-1-methylsulfonylpiperazine is sourced from PubChem (CID 130440437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).