1,1,1-trifluoro-2-[propan-2-yl(sulfamoyl)amino]butane

C7H15F3N2O2S — CID 167049060

IUPAC1,1,1-trifluoro-2-[propan-2-yl(sulfamoyl)amino]butane
SMILESCCC(N(C(C)C)S(N)(=O)=O)C(F)(F)F
InChIInChI=1S/C7H15F3N2O2S/c1-4-6(7(8,9)10)12(5(2)3)15(11,13)14/h5-6H,4H2,1-3H3,(H2,11,13,14)
InChIKeyBYBQJUVQONIIBF-UHFFFAOYSA-N
MW248.27 g/mol
LogP1.24
Rot. Bonds4

About 1,1,1-trifluoro-2-[propan-2-yl(sulfamoyl)amino]butane

1,1,1-trifluoro-2-[propan-2-yl(sulfamoyl)amino]butane (PubChem CID 167049060) has the molecular formula C7H15F3N2O2S and a molecular weight of 248.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[propan-2-yl(sulfamoyl)amino]butane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[propan-2-yl(sulfamoyl)amino]butane
PubChem CID167049060
Molecular FormulaC7H15F3N2O2S
Molecular Weight248.27 g/mol
Exact Mass248.08
IUPAC Name1,1,1-trifluoro-2-[propan-2-yl(sulfamoyl)amino]butane
SMILESCCC(N(C(C)C)S(N)(=O)=O)C(F)(F)F
InChIInChI=1S/C7H15F3N2O2S/c1-4-6(7(8,9)10)12(5(2)3)15(11,13)14/h5-6H,4H2,1-3H3,(H2,11,13,14)
InChIKeyBYBQJUVQONIIBF-UHFFFAOYSA-N
XLogP1.24
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[propan-2-yl(sulfamoyl)amino]butane?
The IUPAC name of 1,1,1-trifluoro-2-[propan-2-yl(sulfamoyl)amino]butane (CID 167049060) is 1,1,1-trifluoro-2-[propan-2-yl(sulfamoyl)amino]butane.
What is the SMILES notation for 1,1,1-trifluoro-2-[propan-2-yl(sulfamoyl)amino]butane?
The canonical SMILES for 1,1,1-trifluoro-2-[propan-2-yl(sulfamoyl)amino]butane is CCC(N(C(C)C)S(N)(=O)=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[propan-2-yl(sulfamoyl)amino]butane?
The InChIKey is BYBQJUVQONIIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2O2S/c1-4-6(7(8,9)10)12(5(2)3)15(11,13)14/h5-6H,4H2,1-3H3,(H2,11,13,14).
What are the key properties of 1,1,1-trifluoro-2-[propan-2-yl(sulfamoyl)amino]butane?
1,1,1-trifluoro-2-[propan-2-yl(sulfamoyl)amino]butane has a molecular weight of 248.27 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[propan-2-yl(sulfamoyl)amino]butane is sourced from PubChem (CID 167049060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).