2-(5,5,5-trifluoropentylamino)ethanesulfonamide

C7H15F3N2O2S — CID 114385128

IUPAC2-(5,5,5-trifluoropentylamino)ethanesulfonamide
SMILESNS(=O)(=O)CCNCCCCC(F)(F)F
InChIInChI=1S/C7H15F3N2O2S/c8-7(9,10)3-1-2-4-12-5-6-15(11,13)14/h12H,1-6H2,(H2,11,13,14)
InChIKeyNDDMXDLXIJGQLE-UHFFFAOYSA-N
MW248.27 g/mol
LogP0.60
Rot. Bonds7

About 2-(5,5,5-trifluoropentylamino)ethanesulfonamide

2-(5,5,5-trifluoropentylamino)ethanesulfonamide (PubChem CID 114385128) has the molecular formula C7H15F3N2O2S and a molecular weight of 248.27 g/mol. Its IUPAC name is 2-(5,5,5-trifluoropentylamino)ethanesulfonamide.

Molecular Properties

Compound Name2-(5,5,5-trifluoropentylamino)ethanesulfonamide
PubChem CID114385128
Molecular FormulaC7H15F3N2O2S
Molecular Weight248.27 g/mol
Exact Mass248.08
IUPAC Name2-(5,5,5-trifluoropentylamino)ethanesulfonamide
SMILESNS(=O)(=O)CCNCCCCC(F)(F)F
InChIInChI=1S/C7H15F3N2O2S/c8-7(9,10)3-1-2-4-12-5-6-15(11,13)14/h12H,1-6H2,(H2,11,13,14)
InChIKeyNDDMXDLXIJGQLE-UHFFFAOYSA-N
XLogP0.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.60
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

2-(pentylamino)ethanesulfonamide
CID 43551719
N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 115513664
3,3-dimethyl-N-(5,5,5-trifluoropentyl)butan-1-amine
CID 115517334
4-(2-sulfamoylethylamino)butanoic acid
CID 114385317
3-(3,3-dimethylbutylamino)propane-1-sulfonamide
CID 62950960
N'-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115513666
N-[3-(4,4,4-trifluorobutylamino)propyl]methanesulfonamide
CID 106336415
7,7,7-trifluoroheptane-1-sulfonic acid
CID 134206344
N-methyl-N'-(4,4,4-trifluorobutyl)butane-1,4-diamine
CID 115520274
2-[3-[methyl(propan-2-yl)amino]propylamino]ethanesulfonamide
CID 106044314
N',N'-dimethyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine
CID 115518829
4-(4,4,4-trifluorobutylamino)butanamide
CID 115513564

Frequently Asked Questions

What is the IUPAC name of 2-(5,5,5-trifluoropentylamino)ethanesulfonamide?
The IUPAC name of 2-(5,5,5-trifluoropentylamino)ethanesulfonamide (CID 114385128) is 2-(5,5,5-trifluoropentylamino)ethanesulfonamide.
What is the SMILES notation for 2-(5,5,5-trifluoropentylamino)ethanesulfonamide?
The canonical SMILES for 2-(5,5,5-trifluoropentylamino)ethanesulfonamide is NS(=O)(=O)CCNCCCCC(F)(F)F.
What is the InChIKey of 2-(5,5,5-trifluoropentylamino)ethanesulfonamide?
The InChIKey is NDDMXDLXIJGQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2O2S/c8-7(9,10)3-1-2-4-12-5-6-15(11,13)14/h12H,1-6H2,(H2,11,13,14).
What are the key properties of 2-(5,5,5-trifluoropentylamino)ethanesulfonamide?
2-(5,5,5-trifluoropentylamino)ethanesulfonamide has a molecular weight of 248.27 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5,5-trifluoropentylamino)ethanesulfonamide is sourced from PubChem (CID 114385128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).