N-[2-(dimethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide

C5H11F3N2O2S — CID 148928042

IUPACN-[2-(dimethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide
SMILESCN(C)CCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H11F3N2O2S/c1-10(2)4-3-9-13(11,12)5(6,7)8/h9H,3-4H2,1-2H3
InChIKeyPLJNJHGUYAZGLY-UHFFFAOYSA-N
MW220.22 g/mol
LogP-0.01
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide

N-[2-(dimethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 148928042) has the molecular formula C5H11F3N2O2S and a molecular weight of 220.22 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID148928042
Molecular FormulaC5H11F3N2O2S
Molecular Weight220.22 g/mol
Exact Mass220.05
IUPAC NameN-[2-(dimethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide
SMILESCN(C)CCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H11F3N2O2S/c1-10(2)4-3-9-13(11,12)5(6,7)8/h9H,3-4H2,1-2H3
InChIKeyPLJNJHGUYAZGLY-UHFFFAOYSA-N
XLogP-0.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Dimethylethylammonium Trifluoromethanesulfonate
CID 86620366
Perfluoromethane sulfonamido propyl dimethyl amine
CID 21524814
1-Methanidyl-4-(trifluoromethylsulfonyl)piperazin-1-ium
CID 57868221
1,1,1-trifluoro-N-[2-(methylamino)ethyl]methanesulfonamide
CID 62657412
1,1-difluoro-N-[2-(methylamino)ethyl]methanesulfonamide
CID 62658738
1,1,1-trifluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide
CID 62665151
C4F9SO2-N(CH3)CH2CH2-NH2
CID 86649493
1,1,2-trifluoro-N-[2-(methylamino)ethyl]ethanesulfonamide
CID 123946453
Trifluoromethanesulfonate;tris(2-aminoethyl)azanium
CID 132143345
N-[2-[bis[2-(diethylamino)ethyl]amino]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 140802625
[2-Amino-1-(dimethylamino)ethyl] trifluoromethanesulfonate
CID 146423134
N-[2-(diethylamino)ethyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
CID 153607529

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide (CID 148928042) is N-[2-(dimethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide is CN(C)CCNS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is PLJNJHGUYAZGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N2O2S/c1-10(2)4-3-9-13(11,12)5(6,7)8/h9H,3-4H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide?
N-[2-(dimethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 220.22 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 148928042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).