1,1,1-trifluoro-3-methyl-N-(2-methylpropylsulfamoyl)butan-2-amine

C9H19F3N2O2S — CID 140915623

IUPAC1,1,1-trifluoro-3-methyl-N-(2-methylpropylsulfamoyl)butan-2-amine
SMILESCC(C)CNS(=O)(=O)NC(C(C)C)C(F)(F)F
InChIInChI=1S/C9H19F3N2O2S/c1-6(2)5-13-17(15,16)14-8(7(3)4)9(10,11)12/h6-8,13-14H,5H2,1-4H3
InChIKeyPPYSIMKWRBQQKN-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.65
Rot. Bonds6

About 1,1,1-trifluoro-3-methyl-N-(2-methylpropylsulfamoyl)butan-2-amine

1,1,1-trifluoro-3-methyl-N-(2-methylpropylsulfamoyl)butan-2-amine (PubChem CID 140915623) has the molecular formula C9H19F3N2O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-methyl-N-(2-methylpropylsulfamoyl)butan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-3-methyl-N-(2-methylpropylsulfamoyl)butan-2-amine
PubChem CID140915623
Molecular FormulaC9H19F3N2O2S
Molecular Weight276.32 g/mol
Exact Mass276.11
IUPAC Name1,1,1-trifluoro-3-methyl-N-(2-methylpropylsulfamoyl)butan-2-amine
SMILESCC(C)CNS(=O)(=O)NC(C(C)C)C(F)(F)F
InChIInChI=1S/C9H19F3N2O2S/c1-6(2)5-13-17(15,16)14-8(7(3)4)9(10,11)12/h6-8,13-14H,5H2,1-4H3
InChIKeyPPYSIMKWRBQQKN-UHFFFAOYSA-N
XLogP1.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-methyl-N-(2-methylpropylsulfamoyl)butan-2-amine?
The IUPAC name of 1,1,1-trifluoro-3-methyl-N-(2-methylpropylsulfamoyl)butan-2-amine (CID 140915623) is 1,1,1-trifluoro-3-methyl-N-(2-methylpropylsulfamoyl)butan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-3-methyl-N-(2-methylpropylsulfamoyl)butan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-3-methyl-N-(2-methylpropylsulfamoyl)butan-2-amine is CC(C)CNS(=O)(=O)NC(C(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-methyl-N-(2-methylpropylsulfamoyl)butan-2-amine?
The InChIKey is PPYSIMKWRBQQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O2S/c1-6(2)5-13-17(15,16)14-8(7(3)4)9(10,11)12/h6-8,13-14H,5H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-3-methyl-N-(2-methylpropylsulfamoyl)butan-2-amine?
1,1,1-trifluoro-3-methyl-N-(2-methylpropylsulfamoyl)butan-2-amine has a molecular weight of 276.32 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-methyl-N-(2-methylpropylsulfamoyl)butan-2-amine is sourced from PubChem (CID 140915623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).