N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine

C6H13F3N2O2S — CID 22621393

IUPACN-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
SMILESCCCCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H13F3N2O2S/c1-2-3-4-10-14(12,13)11-5-6(7,8)9/h10-11H,2-5H2,1H3
InChIKeyGAEOAEQDDZEUQB-UHFFFAOYSA-N
MW234.24 g/mol
LogP0.77
Rot. Bonds6

About N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine

N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine (PubChem CID 22621393) has the molecular formula C6H13F3N2O2S and a molecular weight of 234.24 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
PubChem CID22621393
Molecular FormulaC6H13F3N2O2S
Molecular Weight234.24 g/mol
Exact Mass234.06
IUPAC NameN-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
SMILESCCCCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H13F3N2O2S/c1-2-3-4-10-14(12,13)11-5-6(7,8)9/h10-11H,2-5H2,1H3
InChIKeyGAEOAEQDDZEUQB-UHFFFAOYSA-N
XLogP0.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine?
The IUPAC name of N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine (CID 22621393) is N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine?
The canonical SMILES for N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine is CCCCNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine?
The InChIKey is GAEOAEQDDZEUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N2O2S/c1-2-3-4-10-14(12,13)11-5-6(7,8)9/h10-11H,2-5H2,1H3.
What are the key properties of N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine?
N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine has a molecular weight of 234.24 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine is sourced from PubChem (CID 22621393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).