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

C6H13F3N2O2S — CID 114807152

IUPACN-(2,2,2-trifluoroethylsulfamoyl)butan-2-amine
SMILESCCC(C)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H13F3N2O2S/c1-3-5(2)11-14(12,13)10-4-6(7,8)9/h5,10-11H,3-4H2,1-2H3
InChIKeyRHUIANXYHSHRCE-UHFFFAOYSA-N
MW234.24 g/mol
LogP0.77
Rot. Bonds5

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

N-(2,2,2-trifluoroethylsulfamoyl)butan-2-amine (PubChem CID 114807152) has the molecular formula C6H13F3N2O2S and a molecular weight of 234.24 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethylsulfamoyl)butan-2-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethylsulfamoyl)butan-2-amine
PubChem CID114807152
Molecular FormulaC6H13F3N2O2S
Molecular Weight234.24 g/mol
Exact Mass234.06
IUPAC NameN-(2,2,2-trifluoroethylsulfamoyl)butan-2-amine
SMILESCCC(C)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H13F3N2O2S/c1-3-5(2)11-14(12,13)10-4-6(7,8)9/h5,10-11H,3-4H2,1-2H3
InChIKeyRHUIANXYHSHRCE-UHFFFAOYSA-N
XLogP0.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethylsulfamoyl)butan-2-amine?
The IUPAC name of N-(2,2,2-trifluoroethylsulfamoyl)butan-2-amine (CID 114807152) is N-(2,2,2-trifluoroethylsulfamoyl)butan-2-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethylsulfamoyl)butan-2-amine?
The canonical SMILES for N-(2,2,2-trifluoroethylsulfamoyl)butan-2-amine is CCC(C)NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethylsulfamoyl)butan-2-amine?
The InChIKey is RHUIANXYHSHRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N2O2S/c1-3-5(2)11-14(12,13)10-4-6(7,8)9/h5,10-11H,3-4H2,1-2H3.
What are the key properties of N-(2,2,2-trifluoroethylsulfamoyl)butan-2-amine?
N-(2,2,2-trifluoroethylsulfamoyl)butan-2-amine has a molecular weight of 234.24 g/mol, XLogP of 0.77, 5 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-2-amine is sourced from PubChem (CID 114807152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).