2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide

C5H11F3N2O2S2 — CID 106427174

IUPAC2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide
SMILESNCCS(=O)(=O)NCCSC(F)(F)F
InChIInChI=1S/C5H11F3N2O2S2/c6-5(7,8)13-3-2-10-14(11,12)4-1-9/h10H,1-4,9H2
InChIKeyXCFVZNSRGGPPJK-UHFFFAOYSA-N
MW252.28 g/mol
LogP0.12
Rot. Bonds6

About 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide

2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide (PubChem CID 106427174) has the molecular formula C5H11F3N2O2S2 and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide
PubChem CID106427174
Molecular FormulaC5H11F3N2O2S2
Molecular Weight252.28 g/mol
Exact Mass252.02
IUPAC Name2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide
SMILESNCCS(=O)(=O)NCCSC(F)(F)F
InChIInChI=1S/C5H11F3N2O2S2/c6-5(7,8)13-3-2-10-14(11,12)4-1-9/h10H,1-4,9H2
InChIKeyXCFVZNSRGGPPJK-UHFFFAOYSA-N
XLogP0.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(2-sulfamoylethyl)ethanesulfonamide
CID 43552164
2-amino-N-(2-hydroxyethyl)ethanesulfonamide
CID 87239494
4-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106430233
4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 75406437
2-(trifluoromethylsulfanyl)ethanamine chloride
CID 75530521
3-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106433696
3-amino-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide;hydrochloride
CID 119291648
2-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-sulfonamide
CID 106433776
5-amino-2-chloro-4-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106425795
4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide
CID 106425735
4-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106430253
4-fluoro-2,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106150602

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide?
The IUPAC name of 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide (CID 106427174) is 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide is NCCS(=O)(=O)NCCSC(F)(F)F.
What is the InChIKey of 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide?
The InChIKey is XCFVZNSRGGPPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N2O2S2/c6-5(7,8)13-3-2-10-14(11,12)4-1-9/h10H,1-4,9H2.
What are the key properties of 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide?
2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide has a molecular weight of 252.28 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 106427174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).