N-(2-aminoethyl)-N-(3,3,3-trifluoro-2-methylpropyl)methanesulfonamide

C7H15F3N2O2S — CID 166776011

IUPACN-(2-aminoethyl)-N-(3,3,3-trifluoro-2-methylpropyl)methanesulfonamide
SMILESCC(CN(CCN)S(C)(=O)=O)C(F)(F)F
InChIInChI=1S/C7H15F3N2O2S/c1-6(7(8,9)10)5-12(4-3-11)15(2,13)14/h6H,3-5,11H2,1-2H3
InChIKeyYJCUENOXWBPRNC-UHFFFAOYSA-N
MW248.27 g/mol
LogP0.41
Rot. Bonds5

About N-(2-aminoethyl)-N-(3,3,3-trifluoro-2-methylpropyl)methanesulfonamide

N-(2-aminoethyl)-N-(3,3,3-trifluoro-2-methylpropyl)methanesulfonamide (PubChem CID 166776011) has the molecular formula C7H15F3N2O2S and a molecular weight of 248.27 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(3,3,3-trifluoro-2-methylpropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(3,3,3-trifluoro-2-methylpropyl)methanesulfonamide
PubChem CID166776011
Molecular FormulaC7H15F3N2O2S
Molecular Weight248.27 g/mol
Exact Mass248.08
IUPAC NameN-(2-aminoethyl)-N-(3,3,3-trifluoro-2-methylpropyl)methanesulfonamide
SMILESCC(CN(CCN)S(C)(=O)=O)C(F)(F)F
InChIInChI=1S/C7H15F3N2O2S/c1-6(7(8,9)10)5-12(4-3-11)15(2,13)14/h6H,3-5,11H2,1-2H3
InChIKeyYJCUENOXWBPRNC-UHFFFAOYSA-N
XLogP0.41
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(3,3,3-trifluoro-2-methylpropyl)methanesulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-(3,3,3-trifluoro-2-methylpropyl)methanesulfonamide (CID 166776011) is N-(2-aminoethyl)-N-(3,3,3-trifluoro-2-methylpropyl)methanesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(3,3,3-trifluoro-2-methylpropyl)methanesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-(3,3,3-trifluoro-2-methylpropyl)methanesulfonamide is CC(CN(CCN)S(C)(=O)=O)C(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-N-(3,3,3-trifluoro-2-methylpropyl)methanesulfonamide?
The InChIKey is YJCUENOXWBPRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2O2S/c1-6(7(8,9)10)5-12(4-3-11)15(2,13)14/h6H,3-5,11H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-(3,3,3-trifluoro-2-methylpropyl)methanesulfonamide?
N-(2-aminoethyl)-N-(3,3,3-trifluoro-2-methylpropyl)methanesulfonamide has a molecular weight of 248.27 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(3,3,3-trifluoro-2-methylpropyl)methanesulfonamide is sourced from PubChem (CID 166776011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).