3-amino-N-methyl-N-(3,3,4,4,4-pentafluorobutyl)propane-1-sulfonamide

C8H15F5N2O2S — CID 88547183

IUPAC3-amino-N-methyl-N-(3,3,4,4,4-pentafluorobutyl)propane-1-sulfonamide
SMILESCN(CCC(F)(F)C(F)(F)F)S(=O)(=O)CCCN
InChIInChI=1S/C8H15F5N2O2S/c1-15(18(16,17)6-2-4-14)5-3-7(9,10)8(11,12)13/h2-6,14H2,1H3
InChIKeyNYLWCMOCBMHXLA-UHFFFAOYSA-N
MW298.28 g/mol
LogP1.18
Rot. Bonds7

About 3-amino-N-methyl-N-(3,3,4,4,4-pentafluorobutyl)propane-1-sulfonamide

3-amino-N-methyl-N-(3,3,4,4,4-pentafluorobutyl)propane-1-sulfonamide (PubChem CID 88547183) has the molecular formula C8H15F5N2O2S and a molecular weight of 298.28 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(3,3,4,4,4-pentafluorobutyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(3,3,4,4,4-pentafluorobutyl)propane-1-sulfonamide
PubChem CID88547183
Molecular FormulaC8H15F5N2O2S
Molecular Weight298.28 g/mol
Exact Mass298.08
IUPAC Name3-amino-N-methyl-N-(3,3,4,4,4-pentafluorobutyl)propane-1-sulfonamide
SMILESCN(CCC(F)(F)C(F)(F)F)S(=O)(=O)CCCN
InChIInChI=1S/C8H15F5N2O2S/c1-15(18(16,17)6-2-4-14)5-3-7(9,10)8(11,12)13/h2-6,14H2,1H3
InChIKeyNYLWCMOCBMHXLA-UHFFFAOYSA-N
XLogP1.18
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-methyl-N-(3,3,4,4,4-pentafluorobutyl)propane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(3,3,4,4,4-pentafluorobutyl)propane-1-sulfonamide?
The IUPAC name of 3-amino-N-methyl-N-(3,3,4,4,4-pentafluorobutyl)propane-1-sulfonamide (CID 88547183) is 3-amino-N-methyl-N-(3,3,4,4,4-pentafluorobutyl)propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-methyl-N-(3,3,4,4,4-pentafluorobutyl)propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-methyl-N-(3,3,4,4,4-pentafluorobutyl)propane-1-sulfonamide is CN(CCC(F)(F)C(F)(F)F)S(=O)(=O)CCCN.
What is the InChIKey of 3-amino-N-methyl-N-(3,3,4,4,4-pentafluorobutyl)propane-1-sulfonamide?
The InChIKey is NYLWCMOCBMHXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F5N2O2S/c1-15(18(16,17)6-2-4-14)5-3-7(9,10)8(11,12)13/h2-6,14H2,1H3.
What are the key properties of 3-amino-N-methyl-N-(3,3,4,4,4-pentafluorobutyl)propane-1-sulfonamide?
3-amino-N-methyl-N-(3,3,4,4,4-pentafluorobutyl)propane-1-sulfonamide has a molecular weight of 298.28 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(3,3,4,4,4-pentafluorobutyl)propane-1-sulfonamide is sourced from PubChem (CID 88547183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).