3-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide

C9H19F3N2O3S — CID 114141365

IUPAC3-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C9H19F3N2O3S/c1-2-13-4-3-7-18(15,16)14-5-6-17-8-9(10,11)12/h13-14H,2-8H2,1H3
InChIKeyJBCZWAYIIWCAIB-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.48
Rot. Bonds10

About 3-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide

3-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide (PubChem CID 114141365) has the molecular formula C9H19F3N2O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 3-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide
PubChem CID114141365
Molecular FormulaC9H19F3N2O3S
Molecular Weight292.32 g/mol
Exact Mass292.11
IUPAC Name3-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C9H19F3N2O3S/c1-2-13-4-3-7-18(15,16)14-5-6-17-8-9(10,11)12/h13-14H,2-8H2,1H3
InChIKeyJBCZWAYIIWCAIB-UHFFFAOYSA-N
XLogP0.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(ethylamino)-N-[2-(3-methylbutoxy)ethyl]propane-1-sulfonamide
CID 106018630
N-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide
CID 106080386
3-(ethylamino)-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106092733
3-(ethylamino)-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide
CID 106079963
N-(2-but-3-enoxyethyl)-2-(ethylamino)ethanesulfonamide
CID 106402426
3-(ethylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]propane-1-sulfonamide
CID 114141000
N-(2-propylsulfonylethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 106723752
N-ethyl-2-(3-methylsulfonylpropoxy)ethanamine
CID 63191293
5-(tert-butylamino)-N-[2-(2-propoxyethoxy)ethyl]pentane-1-sulfonamide
CID 163499248
N-[2-(ethylamino)ethyl]-3-fluoropropane-1-sulfonamide;hydrochloride
CID 119973459
N-[3-(ethylamino)propyl]nonane-1-sulfonamide
CID 59769773
2-(ethylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide
CID 106064642

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide?
The IUPAC name of 3-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide (CID 114141365) is 3-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide.
What is the SMILES notation for 3-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide?
The canonical SMILES for 3-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide is CCNCCCS(=O)(=O)NCCOCC(F)(F)F.
What is the InChIKey of 3-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide?
The InChIKey is JBCZWAYIIWCAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O3S/c1-2-13-4-3-7-18(15,16)14-5-6-17-8-9(10,11)12/h13-14H,2-8H2,1H3.
What are the key properties of 3-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide?
3-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide has a molecular weight of 292.32 g/mol, XLogP of 0.48, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 114141365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).