N-[3-[ethylsulfonyl(methyl)amino]propyl]-3,3,3-trifluoropropanamide

C9H17F3N2O3S — CID 51082889

IUPACN-[3-[ethylsulfonyl(methyl)amino]propyl]-3,3,3-trifluoropropanamide
SMILESCCS(=O)(=O)N(C)CCCNC(=O)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O3S/c1-3-18(16,17)14(2)6-4-5-13-8(15)7-9(10,11)12/h3-7H2,1-2H3,(H,13,15)
InChIKeyGNFODVFLXMMGAF-UHFFFAOYSA-N
MW290.31 g/mol
LogP0.73
Rot. Bonds7

About N-[3-[ethylsulfonyl(methyl)amino]propyl]-3,3,3-trifluoropropanamide

N-[3-[ethylsulfonyl(methyl)amino]propyl]-3,3,3-trifluoropropanamide (PubChem CID 51082889) has the molecular formula C9H17F3N2O3S and a molecular weight of 290.31 g/mol. Its IUPAC name is N-[3-[ethylsulfonyl(methyl)amino]propyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[3-[ethylsulfonyl(methyl)amino]propyl]-3,3,3-trifluoropropanamide
PubChem CID51082889
Molecular FormulaC9H17F3N2O3S
Molecular Weight290.31 g/mol
Exact Mass290.09
IUPAC NameN-[3-[ethylsulfonyl(methyl)amino]propyl]-3,3,3-trifluoropropanamide
SMILESCCS(=O)(=O)N(C)CCCNC(=O)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O3S/c1-3-18(16,17)14(2)6-4-5-13-8(15)7-9(10,11)12/h3-7H2,1-2H3,(H,13,15)
InChIKeyGNFODVFLXMMGAF-UHFFFAOYSA-N
XLogP0.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
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-[ethylsulfonyl(methyl)amino]propyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[3-[ethylsulfonyl(methyl)amino]propyl]-3,3,3-trifluoropropanamide (CID 51082889) is N-[3-[ethylsulfonyl(methyl)amino]propyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[3-[ethylsulfonyl(methyl)amino]propyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[3-[ethylsulfonyl(methyl)amino]propyl]-3,3,3-trifluoropropanamide is CCS(=O)(=O)N(C)CCCNC(=O)CC(F)(F)F.
What is the InChIKey of N-[3-[ethylsulfonyl(methyl)amino]propyl]-3,3,3-trifluoropropanamide?
The InChIKey is GNFODVFLXMMGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O3S/c1-3-18(16,17)14(2)6-4-5-13-8(15)7-9(10,11)12/h3-7H2,1-2H3,(H,13,15).
What are the key properties of N-[3-[ethylsulfonyl(methyl)amino]propyl]-3,3,3-trifluoropropanamide?
N-[3-[ethylsulfonyl(methyl)amino]propyl]-3,3,3-trifluoropropanamide has a molecular weight of 290.31 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethylsulfonyl(methyl)amino]propyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 51082889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).