N-(2-aminoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide

C8H15F3N2O3S — CID 107493692

IUPACN-(2-aminoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)N(CCN)CC(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C8H15F3N2O3S/c1-6(17(2,15)16)7(14)13(4-3-12)5-8(9,10)11/h6H,3-5,12H2,1-2H3
InChIKeyMFWYXQCXLRGBPT-UHFFFAOYSA-N
MW276.28 g/mol
LogP-0.23
Rot. Bonds5

About N-(2-aminoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide

N-(2-aminoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 107493692) has the molecular formula C8H15F3N2O3S and a molecular weight of 276.28 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID107493692
Molecular FormulaC8H15F3N2O3S
Molecular Weight276.28 g/mol
Exact Mass276.08
IUPAC NameN-(2-aminoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)N(CCN)CC(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C8H15F3N2O3S/c1-6(17(2,15)16)7(14)13(4-3-12)5-8(9,10)11/h6H,3-5,12H2,1-2H3
InChIKeyMFWYXQCXLRGBPT-UHFFFAOYSA-N
XLogP-0.23
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-(2-aminoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide (CID 107493692) is N-(2-aminoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-(2-aminoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide is CC(C(=O)N(CCN)CC(F)(F)F)S(C)(=O)=O.
What is the InChIKey of N-(2-aminoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is MFWYXQCXLRGBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O3S/c1-6(17(2,15)16)7(14)13(4-3-12)5-8(9,10)11/h6H,3-5,12H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide?
N-(2-aminoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 276.28 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 107493692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).