piperazine;(sulfinatoamino)methane;2,2,2-trifluoroacetic acid

C7H15F3N3O4S- — CID 68866132

IUPACpiperazine;(sulfinatoamino)methane;2,2,2-trifluoroacetic acid
SMILESC1CNCCN1.CNS(=O)[O-].O=C(O)C(F)(F)F
InChIInChI=1S/C4H10N2.C2HF3O2.CH5NO2S/c1-2-6-4-3-5-1;3-2(4,5)1(6)7;1-2-5(3)4/h5-6H,1-4H2;(H,6,7);2H,1H3,(H,3,4)/p-1
InChIKeyYSBIGFKIJGJZMY-UHFFFAOYSA-M
MW294.28 g/mol
LogP-1.19
Rot. Bonds1

About piperazine;(sulfinatoamino)methane;2,2,2-trifluoroacetic acid

piperazine;(sulfinatoamino)methane;2,2,2-trifluoroacetic acid (PubChem CID 68866132) has the molecular formula C7H15F3N3O4S- and a molecular weight of 294.28 g/mol. Its IUPAC name is piperazine;(sulfinatoamino)methane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepiperazine;(sulfinatoamino)methane;2,2,2-trifluoroacetic acid
PubChem CID68866132
Molecular FormulaC7H15F3N3O4S-
Molecular Weight294.28 g/mol
Exact Mass294.07
IUPAC Namepiperazine;(sulfinatoamino)methane;2,2,2-trifluoroacetic acid
SMILESC1CNCCN1.CNS(=O)[O-].O=C(O)C(F)(F)F
InChIInChI=1S/C4H10N2.C2HF3O2.CH5NO2S/c1-2-6-4-3-5-1;3-2(4,5)1(6)7;1-2-5(3)4/h5-6H,1-4H2;(H,6,7);2H,1H3,(H,3,4)/p-1
InChIKeyYSBIGFKIJGJZMY-UHFFFAOYSA-M
XLogP-1.19
TPSA113.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 5-1.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of piperazine;(sulfinatoamino)methane;2,2,2-trifluoroacetic acid?
The IUPAC name of piperazine;(sulfinatoamino)methane;2,2,2-trifluoroacetic acid (CID 68866132) is piperazine;(sulfinatoamino)methane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for piperazine;(sulfinatoamino)methane;2,2,2-trifluoroacetic acid?
The canonical SMILES for piperazine;(sulfinatoamino)methane;2,2,2-trifluoroacetic acid is C1CNCCN1.CNS(=O)[O-].O=C(O)C(F)(F)F.
What is the InChIKey of piperazine;(sulfinatoamino)methane;2,2,2-trifluoroacetic acid?
The InChIKey is YSBIGFKIJGJZMY-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10N2.C2HF3O2.CH5NO2S/c1-2-6-4-3-5-1;3-2(4,5)1(6)7;1-2-5(3)4/h5-6H,1-4H2;(H,6,7);2H,1H3,(H,3,4)/p-1.
What are the key properties of piperazine;(sulfinatoamino)methane;2,2,2-trifluoroacetic acid?
piperazine;(sulfinatoamino)methane;2,2,2-trifluoroacetic acid has a molecular weight of 294.28 g/mol, XLogP of -1.19, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine;(sulfinatoamino)methane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68866132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).