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

C7H15F3N2O3S — CID 63828791

IUPAC3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide
SMILESNCCCS(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C7H15F3N2O3S/c8-7(9,10)6-15-4-3-12-16(13,14)5-1-2-11/h12H,1-6,11H2
InChIKeyFNZUHENKJFDIGI-UHFFFAOYSA-N
MW264.27 g/mol
LogP-0.17
Rot. Bonds8

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

3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide (PubChem CID 63828791) has the molecular formula C7H15F3N2O3S and a molecular weight of 264.27 g/mol. Its IUPAC name is 3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide
PubChem CID63828791
Molecular FormulaC7H15F3N2O3S
Molecular Weight264.27 g/mol
Exact Mass264.08
IUPAC Name3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide
SMILESNCCCS(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C7H15F3N2O3S/c8-7(9,10)6-15-4-3-12-16(13,14)5-1-2-11/h12H,1-6,11H2
InChIKeyFNZUHENKJFDIGI-UHFFFAOYSA-N
XLogP-0.17
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 5-0.17
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide?
The IUPAC name of 3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide (CID 63828791) is 3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide is NCCCS(=O)(=O)NCCOCC(F)(F)F.
What is the InChIKey of 3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide?
The InChIKey is FNZUHENKJFDIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2O3S/c8-7(9,10)6-15-4-3-12-16(13,14)5-1-2-11/h12H,1-6,11H2.
What are the key properties of 3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide?
3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide has a molecular weight of 264.27 g/mol, XLogP of -0.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 63828791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).