1,1,1-trifluoro-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide

C6H13F3N2O3S — CID 83039602

IUPAC1,1,1-trifluoro-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
SMILESCOCCNCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H13F3N2O3S/c1-14-5-4-10-2-3-11-15(12,13)6(7,8)9/h10-11H,2-5H2,1H3
InChIKeyHRTHKRPQUYVHGA-UHFFFAOYSA-N
MW250.24 g/mol
LogP-0.34
Rot. Bonds7

About 1,1,1-trifluoro-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide

1,1,1-trifluoro-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide (PubChem CID 83039602) has the molecular formula C6H13F3N2O3S and a molecular weight of 250.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
PubChem CID83039602
Molecular FormulaC6H13F3N2O3S
Molecular Weight250.24 g/mol
Exact Mass250.06
IUPAC Name1,1,1-trifluoro-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
SMILESCOCCNCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H13F3N2O3S/c1-14-5-4-10-2-3-11-15(12,13)6(7,8)9/h10-11H,2-5H2,1H3
InChIKeyHRTHKRPQUYVHGA-UHFFFAOYSA-N
XLogP-0.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 5-0.34
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 1,1,1-trifluoro-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide (CID 83039602) is 1,1,1-trifluoro-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide is COCCNCCNS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide?
The InChIKey is HRTHKRPQUYVHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N2O3S/c1-14-5-4-10-2-3-11-15(12,13)6(7,8)9/h10-11H,2-5H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide?
1,1,1-trifluoro-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide has a molecular weight of 250.24 g/mol, XLogP of -0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 83039602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).