1-(methylamino)-N-(5,5,5-trifluoropentyl)propane-2-sulfonamide

C9H19F3N2O2S — CID 113328190

IUPAC1-(methylamino)-N-(5,5,5-trifluoropentyl)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)NCCCCC(F)(F)F
InChIInChI=1S/C9H19F3N2O2S/c1-8(7-13-2)17(15,16)14-6-4-3-5-9(10,11)12/h8,13-14H,3-7H2,1-2H3
InChIKeyIESDZKMMQHLADT-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.25
Rot. Bonds8

About 1-(methylamino)-N-(5,5,5-trifluoropentyl)propane-2-sulfonamide

1-(methylamino)-N-(5,5,5-trifluoropentyl)propane-2-sulfonamide (PubChem CID 113328190) has the molecular formula C9H19F3N2O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 1-(methylamino)-N-(5,5,5-trifluoropentyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(methylamino)-N-(5,5,5-trifluoropentyl)propane-2-sulfonamide
PubChem CID113328190
Molecular FormulaC9H19F3N2O2S
Molecular Weight276.32 g/mol
Exact Mass276.11
IUPAC Name1-(methylamino)-N-(5,5,5-trifluoropentyl)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)NCCCCC(F)(F)F
InChIInChI=1S/C9H19F3N2O2S/c1-8(7-13-2)17(15,16)14-6-4-3-5-9(10,11)12/h8,13-14H,3-7H2,1-2H3
InChIKeyIESDZKMMQHLADT-UHFFFAOYSA-N
XLogP1.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(methylamino)-N-(5,5,5-trifluoropentyl)propane-2-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

1-(methylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]propane-2-sulfonamide
CID 106052815
N-(3-butoxypropyl)-1-(methylamino)propane-2-sulfonamide
CID 114142112
2-(4,4,4-trifluorobutylsulfamoyl)propanoic acid
CID 115515843
1-(methylamino)-N-(3-pyrazol-1-ylpropyl)propane-2-sulfonamide
CID 114141939
N-(1-ethylsulfonylpropan-2-yl)-5,5,5-trifluoropentan-1-amine
CID 113350885
6,6,6-trifluoro-N,2-dimethylhexan-1-amine
CID 116536282
N-(4-aminopentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106125756
4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide
CID 82903855
N-(3-aminobutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059418
N-(2-ethyl-2-methylsulfanylbutyl)-1-(methylamino)propane-2-sulfonamide
CID 106092341
4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)piperidine-1-sulfonamide
CID 115522886
N-(2-ethoxypropyl)-1-(methylamino)propane-2-sulfonamide
CID 106078789

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-N-(5,5,5-trifluoropentyl)propane-2-sulfonamide?
The IUPAC name of 1-(methylamino)-N-(5,5,5-trifluoropentyl)propane-2-sulfonamide (CID 113328190) is 1-(methylamino)-N-(5,5,5-trifluoropentyl)propane-2-sulfonamide.
What is the SMILES notation for 1-(methylamino)-N-(5,5,5-trifluoropentyl)propane-2-sulfonamide?
The canonical SMILES for 1-(methylamino)-N-(5,5,5-trifluoropentyl)propane-2-sulfonamide is CNCC(C)S(=O)(=O)NCCCCC(F)(F)F.
What is the InChIKey of 1-(methylamino)-N-(5,5,5-trifluoropentyl)propane-2-sulfonamide?
The InChIKey is IESDZKMMQHLADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O2S/c1-8(7-13-2)17(15,16)14-6-4-3-5-9(10,11)12/h8,13-14H,3-7H2,1-2H3.
What are the key properties of 1-(methylamino)-N-(5,5,5-trifluoropentyl)propane-2-sulfonamide?
1-(methylamino)-N-(5,5,5-trifluoropentyl)propane-2-sulfonamide has a molecular weight of 276.32 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-N-(5,5,5-trifluoropentyl)propane-2-sulfonamide is sourced from PubChem (CID 113328190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).