1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]-4-propylcyclohexane

C12H23F3N2O2S — CID 99803461

IUPAC1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]-4-propylcyclohexane
SMILESCCCC1CCC(N(C)S(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2O2S/c1-3-4-10-5-7-11(8-6-10)17(2)20(18,19)16-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyXTTAXOSSTXGDFK-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.67
Rot. Bonds6

About 1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]-4-propylcyclohexane

1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]-4-propylcyclohexane (PubChem CID 99803461) has the molecular formula C12H23F3N2O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]-4-propylcyclohexane.

Molecular Properties

Compound Name1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]-4-propylcyclohexane
PubChem CID99803461
Molecular FormulaC12H23F3N2O2S
Molecular Weight316.39 g/mol
Exact Mass316.14
IUPAC Name1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]-4-propylcyclohexane
SMILESCCCC1CCC(N(C)S(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2O2S/c1-3-4-10-5-7-11(8-6-10)17(2)20(18,19)16-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyXTTAXOSSTXGDFK-UHFFFAOYSA-N
XLogP2.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]-4-propylcyclohexane?
The IUPAC name of 1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]-4-propylcyclohexane (CID 99803461) is 1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]-4-propylcyclohexane.
What is the SMILES notation for 1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]-4-propylcyclohexane?
The canonical SMILES for 1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]-4-propylcyclohexane is CCCC1CCC(N(C)S(=O)(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]-4-propylcyclohexane?
The InChIKey is XTTAXOSSTXGDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2S/c1-3-4-10-5-7-11(8-6-10)17(2)20(18,19)16-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3.
What are the key properties of 1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]-4-propylcyclohexane?
1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]-4-propylcyclohexane has a molecular weight of 316.39 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]-4-propylcyclohexane is sourced from PubChem (CID 99803461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).