N-[3-(2,2,2-trifluoroethylamino)propyl]methanesulfonamide

C6H13F3N2O2S — CID 106336326

IUPACN-[3-(2,2,2-trifluoroethylamino)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNCC(F)(F)F
InChIInChI=1S/C6H13F3N2O2S/c1-14(12,13)11-4-2-3-10-5-6(7,8)9/h10-11H,2-5H2,1H3
InChIKeyDFFOKBFRKWRUHX-UHFFFAOYSA-N
MW234.24 g/mol
LogP0.08
Rot. Bonds6

About N-[3-(2,2,2-trifluoroethylamino)propyl]methanesulfonamide

N-[3-(2,2,2-trifluoroethylamino)propyl]methanesulfonamide (PubChem CID 106336326) has the molecular formula C6H13F3N2O2S and a molecular weight of 234.24 g/mol. Its IUPAC name is N-[3-(2,2,2-trifluoroethylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2,2,2-trifluoroethylamino)propyl]methanesulfonamide
PubChem CID106336326
Molecular FormulaC6H13F3N2O2S
Molecular Weight234.24 g/mol
Exact Mass234.06
IUPAC NameN-[3-(2,2,2-trifluoroethylamino)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNCC(F)(F)F
InChIInChI=1S/C6H13F3N2O2S/c1-14(12,13)11-4-2-3-10-5-6(7,8)9/h10-11H,2-5H2,1H3
InChIKeyDFFOKBFRKWRUHX-UHFFFAOYSA-N
XLogP0.08
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 ≤ 50.08
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2,2-trifluoroethylamino)propyl]methanesulfonamide?
The IUPAC name of N-[3-(2,2,2-trifluoroethylamino)propyl]methanesulfonamide (CID 106336326) is N-[3-(2,2,2-trifluoroethylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2,2,2-trifluoroethylamino)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(2,2,2-trifluoroethylamino)propyl]methanesulfonamide is CS(=O)(=O)NCCCNCC(F)(F)F.
What is the InChIKey of N-[3-(2,2,2-trifluoroethylamino)propyl]methanesulfonamide?
The InChIKey is DFFOKBFRKWRUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N2O2S/c1-14(12,13)11-4-2-3-10-5-6(7,8)9/h10-11H,2-5H2,1H3.
What are the key properties of N-[3-(2,2,2-trifluoroethylamino)propyl]methanesulfonamide?
N-[3-(2,2,2-trifluoroethylamino)propyl]methanesulfonamide has a molecular weight of 234.24 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2,2-trifluoroethylamino)propyl]methanesulfonamide is sourced from PubChem (CID 106336326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).