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

C9H20F3N3O3S — CID 106064624

IUPAC1-(methylamino)-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propane
SMILESCNCCCN(C)S(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C9H20F3N3O3S/c1-13-4-3-6-15(2)19(16,17)14-5-7-18-8-9(10,11)12/h13-14H,3-8H2,1-2H3
InChIKeyZTEZIEALDJVWDN-UHFFFAOYSA-N
MW307.34 g/mol
LogP-0.06
Rot. Bonds10

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

1-(methylamino)-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propane (PubChem CID 106064624) has the molecular formula C9H20F3N3O3S and a molecular weight of 307.34 g/mol. Its IUPAC name is 1-(methylamino)-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propane.

Molecular Properties

Compound Name1-(methylamino)-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propane
PubChem CID106064624
Molecular FormulaC9H20F3N3O3S
Molecular Weight307.34 g/mol
Exact Mass307.12
IUPAC Name1-(methylamino)-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propane
SMILESCNCCCN(C)S(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C9H20F3N3O3S/c1-13-4-3-6-15(2)19(16,17)14-5-7-18-8-9(10,11)12/h13-14H,3-8H2,1-2H3
InChIKeyZTEZIEALDJVWDN-UHFFFAOYSA-N
XLogP-0.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 5-0.06
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-(methylamino)-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propane?
The IUPAC name of 1-(methylamino)-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propane (CID 106064624) is 1-(methylamino)-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propane.
What is the SMILES notation for 1-(methylamino)-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propane?
The canonical SMILES for 1-(methylamino)-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propane is CNCCCN(C)S(=O)(=O)NCCOCC(F)(F)F.
What is the InChIKey of 1-(methylamino)-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propane?
The InChIKey is ZTEZIEALDJVWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F3N3O3S/c1-13-4-3-6-15(2)19(16,17)14-5-7-18-8-9(10,11)12/h13-14H,3-8H2,1-2H3.
What are the key properties of 1-(methylamino)-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propane?
1-(methylamino)-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propane has a molecular weight of 307.34 g/mol, XLogP of -0.06, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propane is sourced from PubChem (CID 106064624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).