N-[3-(ethylamino)propyl]-1,1,1-trifluoromethanesulfonamide

C6H13F3N2O2S — CID 43606689

IUPACN-[3-(ethylamino)propyl]-1,1,1-trifluoromethanesulfonamide
SMILESCCNCCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H13F3N2O2S/c1-2-10-4-3-5-11-14(12,13)6(7,8)9/h10-11H,2-5H2,1H3
InChIKeyGZJVHAPLDGLLOA-UHFFFAOYSA-N
MW234.24 g/mol
LogP0.43
Rot. Bonds6

About N-[3-(ethylamino)propyl]-1,1,1-trifluoromethanesulfonamide

N-[3-(ethylamino)propyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 43606689) has the molecular formula C6H13F3N2O2S and a molecular weight of 234.24 g/mol. Its IUPAC name is N-[3-(ethylamino)propyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[3-(ethylamino)propyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID43606689
Molecular FormulaC6H13F3N2O2S
Molecular Weight234.24 g/mol
Exact Mass234.06
IUPAC NameN-[3-(ethylamino)propyl]-1,1,1-trifluoromethanesulfonamide
SMILESCCNCCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H13F3N2O2S/c1-2-10-4-3-5-11-14(12,13)6(7,8)9/h10-11H,2-5H2,1H3
InChIKeyGZJVHAPLDGLLOA-UHFFFAOYSA-N
XLogP0.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 50.43
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

Diethylammonium triflate
CID 2783161
Pyrrolidine trifluoromethanesulfonamide
CID 66808720
Perfluoromethane sulfonamido propyl dimethyl amine
CID 21524814
lithium;N-propylpropan-1-amine;trifluoromethanesulfonate
CID 139039585
Perfluoroethane sulfonamido propyl dimethyl amine
CID 163324129
Dibutylazanium;trifluoromethanesulfonate
CID 19751673
1,1,1-trifluoro-N-[3-(methylamino)propyl]methanesulfonamide
CID 43606008
1,1,1-trifluoro-N-[2-(methylamino)ethyl]methanesulfonamide
CID 62657412
1,1,1-trifluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide
CID 62665151
1,1,1-trifluoro-N-[3-(methylamino)propyl]methanesulfonohydrazide
CID 89307846
Dimethyl(propyl)azanium;trifluoromethanesulfonate
CID 118647264
Diethyl(propyl)azanium;trifluoromethanesulfonate
CID 129160608

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylamino)propyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[3-(ethylamino)propyl]-1,1,1-trifluoromethanesulfonamide (CID 43606689) is N-[3-(ethylamino)propyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[3-(ethylamino)propyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[3-(ethylamino)propyl]-1,1,1-trifluoromethanesulfonamide is CCNCCCNS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[3-(ethylamino)propyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is GZJVHAPLDGLLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N2O2S/c1-2-10-4-3-5-11-14(12,13)6(7,8)9/h10-11H,2-5H2,1H3.
What are the key properties of N-[3-(ethylamino)propyl]-1,1,1-trifluoromethanesulfonamide?
N-[3-(ethylamino)propyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 234.24 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylamino)propyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 43606689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).