2-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide

C8H17F3N4O2S — CID 114811162

IUPAC2-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESCN1CCN(S(=O)(=O)NCC(F)(F)F)C(CN)C1
InChIInChI=1S/C8H17F3N4O2S/c1-14-2-3-15(7(4-12)5-14)18(16,17)13-6-8(9,10)11/h7,13H,2-6,12H2,1H3
InChIKeyHEUXVJRQIXHQQE-UHFFFAOYSA-N
MW290.31 g/mol
LogP-1.04
Rot. Bonds4

About 2-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide

2-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (PubChem CID 114811162) has the molecular formula C8H17F3N4O2S and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
PubChem CID114811162
Molecular FormulaC8H17F3N4O2S
Molecular Weight290.31 g/mol
Exact Mass290.10
IUPAC Name2-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESCN1CCN(S(=O)(=O)NCC(F)(F)F)C(CN)C1
InChIInChI=1S/C8H17F3N4O2S/c1-14-2-3-15(7(4-12)5-14)18(16,17)13-6-8(9,10)11/h7,13H,2-6,12H2,1H3
InChIKeyHEUXVJRQIXHQQE-UHFFFAOYSA-N
XLogP-1.04
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 114810850
(4-methyl-1-piperidin-1-ylsulfonylpiperazin-2-yl)methanamine
CID 80506150
[1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperazin-2-yl]methanamine
CID 80506096
[4-methyl-1-(oxan-4-ylsulfonyl)piperazin-2-yl]methanamine
CID 80505945
3-methyl-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 102776359
4-(3-aminopropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 114803495
(3R)-3-amino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 102984427
2-(aminomethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide
CID 115522853
2-[(dimethylamino)methyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
CID 114809666
2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-sulfonamide
CID 106080037
(4-methyl-1-thiophen-2-ylsulfonylpiperazin-2-yl)methanamine
CID 80505797
[4-methyl-1-(2-methylphenyl)sulfonylpiperazin-2-yl]methanamine
CID 80506021

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (CID 114811162) is 2-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is CN1CCN(S(=O)(=O)NCC(F)(F)F)C(CN)C1.
What is the InChIKey of 2-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The InChIKey is HEUXVJRQIXHQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N4O2S/c1-14-2-3-15(7(4-12)5-14)18(16,17)13-6-8(9,10)11/h7,13H,2-6,12H2,1H3.
What are the key properties of 2-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
2-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide has a molecular weight of 290.31 g/mol, XLogP of -1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 114811162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).