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

C5H11F3N2O2S — CID 114807145

IUPACN-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine
SMILESCCCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H11F3N2O2S/c1-2-3-9-13(11,12)10-4-5(6,7)8/h9-10H,2-4H2,1H3
InChIKeyLKQWBTWOEARKEH-UHFFFAOYSA-N
MW220.22 g/mol
LogP0.38
Rot. Bonds5

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

N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine (PubChem CID 114807145) has the molecular formula C5H11F3N2O2S and a molecular weight of 220.22 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine
PubChem CID114807145
Molecular FormulaC5H11F3N2O2S
Molecular Weight220.22 g/mol
Exact Mass220.05
IUPAC NameN-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine
SMILESCCCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H11F3N2O2S/c1-2-3-9-13(11,12)10-4-5(6,7)8/h9-10H,2-4H2,1H3
InChIKeyLKQWBTWOEARKEH-UHFFFAOYSA-N
XLogP0.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 50.38
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)propan-1-amine?
The IUPAC name of N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine (CID 114807145) is N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine?
The canonical SMILES for N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine is CCCNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine?
The InChIKey is LKQWBTWOEARKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N2O2S/c1-2-3-9-13(11,12)10-4-5(6,7)8/h9-10H,2-4H2,1H3.
What are the key properties of N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine?
N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine has a molecular weight of 220.22 g/mol, XLogP of 0.38, 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)propan-1-amine is sourced from PubChem (CID 114807145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).