N-(2-aminoethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide

C4H9F3N2O2S — CID 62688262

IUPACN-(2-aminoethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide
SMILESCN(CCN)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H9F3N2O2S/c1-9(3-2-8)12(10,11)4(5,6)7/h2-3,8H2,1H3
InChIKeyFZDPCTSUOVDTSN-UHFFFAOYSA-N
MW206.19 g/mol
LogP-0.27
Rot. Bonds3

About N-(2-aminoethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide

N-(2-aminoethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide (PubChem CID 62688262) has the molecular formula C4H9F3N2O2S and a molecular weight of 206.19 g/mol. Its IUPAC name is N-(2-aminoethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide
PubChem CID62688262
Molecular FormulaC4H9F3N2O2S
Molecular Weight206.19 g/mol
Exact Mass206.03
IUPAC NameN-(2-aminoethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide
SMILESCN(CCN)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H9F3N2O2S/c1-9(3-2-8)12(10,11)4(5,6)7/h2-3,8H2,1H3
InChIKeyFZDPCTSUOVDTSN-UHFFFAOYSA-N
XLogP-0.27
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide?
The IUPAC name of N-(2-aminoethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide (CID 62688262) is N-(2-aminoethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide is CN(CCN)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide?
The InChIKey is FZDPCTSUOVDTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F3N2O2S/c1-9(3-2-8)12(10,11)4(5,6)7/h2-3,8H2,1H3.
What are the key properties of N-(2-aminoethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide?
N-(2-aminoethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide has a molecular weight of 206.19 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide is sourced from PubChem (CID 62688262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).