1-amino-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylbutane

C9H20F3N3O2S — CID 114803895

IUPAC1-amino-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylbutane
SMILESCCN(C(C)(CC)CN)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H20F3N3O2S/c1-4-8(3,6-13)15(5-2)18(16,17)14-7-9(10,11)12/h14H,4-7,13H2,1-3H3
InChIKeyCLNBJQWLHCPAJQ-UHFFFAOYSA-N
MW291.34 g/mol
LogP0.83
Rot. Bonds7

About 1-amino-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylbutane

1-amino-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylbutane (PubChem CID 114803895) has the molecular formula C9H20F3N3O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-amino-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylbutane.

Molecular Properties

Compound Name1-amino-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylbutane
PubChem CID114803895
Molecular FormulaC9H20F3N3O2S
Molecular Weight291.34 g/mol
Exact Mass291.12
IUPAC Name1-amino-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylbutane
SMILESCCN(C(C)(CC)CN)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H20F3N3O2S/c1-4-8(3,6-13)15(5-2)18(16,17)14-7-9(10,11)12/h14H,4-7,13H2,1-3H3
InChIKeyCLNBJQWLHCPAJQ-UHFFFAOYSA-N
XLogP0.83
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylbutane?
The IUPAC name of 1-amino-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylbutane (CID 114803895) is 1-amino-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylbutane.
What is the SMILES notation for 1-amino-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylbutane?
The canonical SMILES for 1-amino-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylbutane is CCN(C(C)(CC)CN)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 1-amino-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylbutane?
The InChIKey is CLNBJQWLHCPAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F3N3O2S/c1-4-8(3,6-13)15(5-2)18(16,17)14-7-9(10,11)12/h14H,4-7,13H2,1-3H3.
What are the key properties of 1-amino-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylbutane?
1-amino-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylbutane has a molecular weight of 291.34 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylbutane is sourced from PubChem (CID 114803895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).