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

C6H13F3N2O3S — CID 102697646

IUPAC2-methoxy-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine
SMILESCOC(C)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H13F3N2O3S/c1-5(14-2)3-10-15(12,13)11-4-6(7,8)9/h5,10-11H,3-4H2,1-2H3
InChIKeyRCGHHQUSGZSRLW-UHFFFAOYSA-N
MW250.24 g/mol
LogP0.01
Rot. Bonds6

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

2-methoxy-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine (PubChem CID 102697646) has the molecular formula C6H13F3N2O3S and a molecular weight of 250.24 g/mol. Its IUPAC name is 2-methoxy-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine
PubChem CID102697646
Molecular FormulaC6H13F3N2O3S
Molecular Weight250.24 g/mol
Exact Mass250.06
IUPAC Name2-methoxy-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine
SMILESCOC(C)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H13F3N2O3S/c1-5(14-2)3-10-15(12,13)11-4-6(7,8)9/h5,10-11H,3-4H2,1-2H3
InChIKeyRCGHHQUSGZSRLW-UHFFFAOYSA-N
XLogP0.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine?
The IUPAC name of 2-methoxy-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine (CID 102697646) is 2-methoxy-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine.
What is the SMILES notation for 2-methoxy-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine?
The canonical SMILES for 2-methoxy-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine is COC(C)CNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-methoxy-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine?
The InChIKey is RCGHHQUSGZSRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N2O3S/c1-5(14-2)3-10-15(12,13)11-4-6(7,8)9/h5,10-11H,3-4H2,1-2H3.
What are the key properties of 2-methoxy-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine?
2-methoxy-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine has a molecular weight of 250.24 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine is sourced from PubChem (CID 102697646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).