N-(2,2,3,3,3-pentafluoropropylsulfamoyl)butan-1-amine

C7H13F5N2O2S — CID 22621391

IUPACN-(2,2,3,3,3-pentafluoropropylsulfamoyl)butan-1-amine
SMILESCCCCNS(=O)(=O)NCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H13F5N2O2S/c1-2-3-4-13-17(15,16)14-5-6(8,9)7(10,11)12/h13-14H,2-5H2,1H3
InChIKeyGUGVRKWYXJXQGR-UHFFFAOYSA-N
MW284.25 g/mol
LogP1.41
Rot. Bonds7

About N-(2,2,3,3,3-pentafluoropropylsulfamoyl)butan-1-amine

N-(2,2,3,3,3-pentafluoropropylsulfamoyl)butan-1-amine (PubChem CID 22621391) has the molecular formula C7H13F5N2O2S and a molecular weight of 284.25 g/mol. Its IUPAC name is N-(2,2,3,3,3-pentafluoropropylsulfamoyl)butan-1-amine.

Molecular Properties

Compound NameN-(2,2,3,3,3-pentafluoropropylsulfamoyl)butan-1-amine
PubChem CID22621391
Molecular FormulaC7H13F5N2O2S
Molecular Weight284.25 g/mol
Exact Mass284.06
IUPAC NameN-(2,2,3,3,3-pentafluoropropylsulfamoyl)butan-1-amine
SMILESCCCCNS(=O)(=O)NCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H13F5N2O2S/c1-2-3-4-13-17(15,16)14-5-6(8,9)7(10,11)12/h13-14H,2-5H2,1H3
InChIKeyGUGVRKWYXJXQGR-UHFFFAOYSA-N
XLogP1.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2,2,3,3,3-pentafluoropropylsulfamoyl)butan-1-amine?
The IUPAC name of N-(2,2,3,3,3-pentafluoropropylsulfamoyl)butan-1-amine (CID 22621391) is N-(2,2,3,3,3-pentafluoropropylsulfamoyl)butan-1-amine.
What is the SMILES notation for N-(2,2,3,3,3-pentafluoropropylsulfamoyl)butan-1-amine?
The canonical SMILES for N-(2,2,3,3,3-pentafluoropropylsulfamoyl)butan-1-amine is CCCCNS(=O)(=O)NCC(F)(F)C(F)(F)F.
What is the InChIKey of N-(2,2,3,3,3-pentafluoropropylsulfamoyl)butan-1-amine?
The InChIKey is GUGVRKWYXJXQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F5N2O2S/c1-2-3-4-13-17(15,16)14-5-6(8,9)7(10,11)12/h13-14H,2-5H2,1H3.
What are the key properties of N-(2,2,3,3,3-pentafluoropropylsulfamoyl)butan-1-amine?
N-(2,2,3,3,3-pentafluoropropylsulfamoyl)butan-1-amine has a molecular weight of 284.25 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3,3-pentafluoropropylsulfamoyl)butan-1-amine is sourced from PubChem (CID 22621391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).