N-(2-propylsulfonylethyl)-2-(2,2,2-trifluoroethoxy)ethanamine

C9H18F3NO3S — CID 106723752

IUPACN-(2-propylsulfonylethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCCS(=O)(=O)CCNCCOCC(F)(F)F
InChIInChI=1S/C9H18F3NO3S/c1-2-6-17(14,15)7-4-13-3-5-16-8-9(10,11)12/h13H,2-8H2,1H3
InChIKeyKCEWNBAOGWKFDX-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.98
Rot. Bonds9

About N-(2-propylsulfonylethyl)-2-(2,2,2-trifluoroethoxy)ethanamine

N-(2-propylsulfonylethyl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 106723752) has the molecular formula C9H18F3NO3S and a molecular weight of 277.31 g/mol. Its IUPAC name is N-(2-propylsulfonylethyl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-(2-propylsulfonylethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID106723752
Molecular FormulaC9H18F3NO3S
Molecular Weight277.31 g/mol
Exact Mass277.10
IUPAC NameN-(2-propylsulfonylethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCCS(=O)(=O)CCNCCOCC(F)(F)F
InChIInChI=1S/C9H18F3NO3S/c1-2-6-17(14,15)7-4-13-3-5-16-8-9(10,11)12/h13H,2-8H2,1H3
InChIKeyKCEWNBAOGWKFDX-UHFFFAOYSA-N
XLogP0.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-propylsulfonylethylamino)propoxy]ethanol
CID 106309894
N'-ethyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine
CID 62636452
2-methylsulfanyl-N-(2-propylsulfonylethyl)ethanamine
CID 106723762
3-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide
CID 114141365
N-(2-chloroethyl)-2-propylsulfonylethanamine
CID 106730959
N-(2-methoxyethyl)-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
CID 103208171
N-(2-methylsulfonylethyl)-2-(2-propoxyethoxy)ethanamine
CID 63685909
3,3,3-trifluoro-N-(2-propoxyethyl)propan-1-amine
CID 106452004
2-(2-methylprop-2-enoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 114467774
2-cyclopropyl-N-(2-propylsulfonylethyl)ethanamine
CID 106723908
2-ethoxy-N-[2-(3-methylbutylsulfonyl)ethyl]ethanamine
CID 107757860
N'-methyl-N-propyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine
CID 62591348

Frequently Asked Questions

What is the IUPAC name of N-(2-propylsulfonylethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-(2-propylsulfonylethyl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 106723752) is N-(2-propylsulfonylethyl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-(2-propylsulfonylethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-(2-propylsulfonylethyl)-2-(2,2,2-trifluoroethoxy)ethanamine is CCCS(=O)(=O)CCNCCOCC(F)(F)F.
What is the InChIKey of N-(2-propylsulfonylethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is KCEWNBAOGWKFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO3S/c1-2-6-17(14,15)7-4-13-3-5-16-8-9(10,11)12/h13H,2-8H2,1H3.
What are the key properties of N-(2-propylsulfonylethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
N-(2-propylsulfonylethyl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 277.31 g/mol, XLogP of 0.98, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propylsulfonylethyl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 106723752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).