N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,3,3-tetrafluoropropanamide

C9H16F4N2O3S — CID 103733105

IUPACN-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,3,3-tetrafluoropropanamide
SMILESCCN(CCCNC(=O)C(F)(F)C(F)F)S(C)(=O)=O
InChIInChI=1S/C9H16F4N2O3S/c1-3-15(19(2,17)18)6-4-5-14-8(16)9(12,13)7(10)11/h7H,3-6H2,1-2H3,(H,14,16)
InChIKeyHLWRNGUDSRADGH-UHFFFAOYSA-N
MW308.30 g/mol
LogP0.67
Rot. Bonds8

About N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,3,3-tetrafluoropropanamide

N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,3,3-tetrafluoropropanamide (PubChem CID 103733105) has the molecular formula C9H16F4N2O3S and a molecular weight of 308.30 g/mol. Its IUPAC name is N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,3,3-tetrafluoropropanamide
PubChem CID103733105
Molecular FormulaC9H16F4N2O3S
Molecular Weight308.30 g/mol
Exact Mass308.08
IUPAC NameN-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,3,3-tetrafluoropropanamide
SMILESCCN(CCCNC(=O)C(F)(F)C(F)F)S(C)(=O)=O
InChIInChI=1S/C9H16F4N2O3S/c1-3-15(19(2,17)18)6-4-5-14-8(16)9(12,13)7(10)11/h7H,3-6H2,1-2H3,(H,14,16)
InChIKeyHLWRNGUDSRADGH-UHFFFAOYSA-N
XLogP0.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,3,3-tetrafluoropropanamide (CID 103733105) is N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,3,3-tetrafluoropropanamide is CCN(CCCNC(=O)C(F)(F)C(F)F)S(C)(=O)=O.
What is the InChIKey of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,3,3-tetrafluoropropanamide?
The InChIKey is HLWRNGUDSRADGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F4N2O3S/c1-3-15(19(2,17)18)6-4-5-14-8(16)9(12,13)7(10)11/h7H,3-6H2,1-2H3,(H,14,16).
What are the key properties of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,3,3-tetrafluoropropanamide?
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,3,3-tetrafluoropropanamide has a molecular weight of 308.30 g/mol, XLogP of 0.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103733105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).