2-(4-methylsulfonylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

C10H20F3N3O2S — CID 55136215

IUPAC2-(4-methylsulfonylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H20F3N3O2S/c1-9(7-14-8-10(11,12)13)15-3-5-16(6-4-15)19(2,17)18/h9,14H,3-8H2,1-2H3
InChIKeyPJSRJKYMWSBZIA-UHFFFAOYSA-N
MW303.35 g/mol
LogP0.10
Rot. Bonds5

About 2-(4-methylsulfonylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(4-methylsulfonylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 55136215) has the molecular formula C10H20F3N3O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is 2-(4-methylsulfonylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-methylsulfonylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID55136215
Molecular FormulaC10H20F3N3O2S
Molecular Weight303.35 g/mol
Exact Mass303.12
IUPAC Name2-(4-methylsulfonylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H20F3N3O2S/c1-9(7-14-8-10(11,12)13)15-3-5-16(6-4-15)19(2,17)18/h9,14H,3-8H2,1-2H3
InChIKeyPJSRJKYMWSBZIA-UHFFFAOYSA-N
XLogP0.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 55136215) is 2-(4-methylsulfonylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(4-methylsulfonylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(4-methylsulfonylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2-(4-methylsulfonylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is PJSRJKYMWSBZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O2S/c1-9(7-14-8-10(11,12)13)15-3-5-16(6-4-15)19(2,17)18/h9,14H,3-8H2,1-2H3.
What are the key properties of 2-(4-methylsulfonylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(4-methylsulfonylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 303.35 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 55136215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).