1-amino-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propane

C8H18F3N3O3S — CID 63828787

IUPAC1-amino-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propane
SMILESCN(CCCN)S(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C8H18F3N3O3S/c1-14(5-2-3-12)18(15,16)13-4-6-17-7-8(9,10)11/h13H,2-7,12H2,1H3
InChIKeyBHYPCUBMAVFMMN-UHFFFAOYSA-N
MW293.31 g/mol
LogP-0.32
Rot. Bonds9

About 1-amino-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propane

1-amino-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propane (PubChem CID 63828787) has the molecular formula C8H18F3N3O3S and a molecular weight of 293.31 g/mol. Its IUPAC name is 1-amino-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propane.

Molecular Properties

Compound Name1-amino-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propane
PubChem CID63828787
Molecular FormulaC8H18F3N3O3S
Molecular Weight293.31 g/mol
Exact Mass293.10
IUPAC Name1-amino-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propane
SMILESCN(CCCN)S(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C8H18F3N3O3S/c1-14(5-2-3-12)18(15,16)13-4-6-17-7-8(9,10)11/h13H,2-7,12H2,1H3
InChIKeyBHYPCUBMAVFMMN-UHFFFAOYSA-N
XLogP-0.32
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-amino-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propane?
The IUPAC name of 1-amino-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propane (CID 63828787) is 1-amino-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propane.
What is the SMILES notation for 1-amino-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propane?
The canonical SMILES for 1-amino-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propane is CN(CCCN)S(=O)(=O)NCCOCC(F)(F)F.
What is the InChIKey of 1-amino-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propane?
The InChIKey is BHYPCUBMAVFMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F3N3O3S/c1-14(5-2-3-12)18(15,16)13-4-6-17-7-8(9,10)11/h13H,2-7,12H2,1H3.
What are the key properties of 1-amino-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propane?
1-amino-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propane has a molecular weight of 293.31 g/mol, XLogP of -0.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propane is sourced from PubChem (CID 63828787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).