N-[2-(2,2,2-trifluoroethylamino)ethyl]methanesulfonamide

C5H11F3N2O2S — CID 43546064

IUPACN-[2-(2,2,2-trifluoroethylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCC(F)(F)F
InChIInChI=1S/C5H11F3N2O2S/c1-13(11,12)10-3-2-9-4-5(6,7)8/h9-10H,2-4H2,1H3
InChIKeyMPFAFFGNUNBRFK-UHFFFAOYSA-N
MW220.22 g/mol
LogP-0.31
Rot. Bonds5

About N-[2-(2,2,2-trifluoroethylamino)ethyl]methanesulfonamide

N-[2-(2,2,2-trifluoroethylamino)ethyl]methanesulfonamide (PubChem CID 43546064) has the molecular formula C5H11F3N2O2S and a molecular weight of 220.22 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethylamino)ethyl]methanesulfonamide
PubChem CID43546064
Molecular FormulaC5H11F3N2O2S
Molecular Weight220.22 g/mol
Exact Mass220.05
IUPAC NameN-[2-(2,2,2-trifluoroethylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCC(F)(F)F
InChIInChI=1S/C5H11F3N2O2S/c1-13(11,12)10-3-2-9-4-5(6,7)8/h9-10H,2-4H2,1H3
InChIKeyMPFAFFGNUNBRFK-UHFFFAOYSA-N
XLogP-0.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Trifluoromethanesulfonylpiperazine hydrochloride
CID 22665842
N,N-Diethylammonium trifluoromethanesulfonate
CID 2783161
Piperazinium trifluoromethanesulfonate
CID 129746813
N-[2-(Methylamino)ethyl]methanesulfonamide
CID 541904
1-Difluoromethanesulfonylpiperazine hydrochloride
CID 154747321
1-((Trifluoromethyl)sulfonyl)piperazine
CID 18690833
1-Difluoromethanesulfonylpiperazine
CID 28606469
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
4-(Trifluoromethylsulfonyl)piperazin-1-ium hydrochloride
CID 86667038

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethylamino)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(2,2,2-trifluoroethylamino)ethyl]methanesulfonamide (CID 43546064) is N-[2-(2,2,2-trifluoroethylamino)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethylamino)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(2,2,2-trifluoroethylamino)ethyl]methanesulfonamide is CS(=O)(=O)NCCNCC(F)(F)F.
What is the InChIKey of N-[2-(2,2,2-trifluoroethylamino)ethyl]methanesulfonamide?
The InChIKey is MPFAFFGNUNBRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N2O2S/c1-13(11,12)10-3-2-9-4-5(6,7)8/h9-10H,2-4H2,1H3.
What are the key properties of N-[2-(2,2,2-trifluoroethylamino)ethyl]methanesulfonamide?
N-[2-(2,2,2-trifluoroethylamino)ethyl]methanesulfonamide has a molecular weight of 220.22 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 43546064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).