1-(aminomethyl)-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane

C10H20F3N3O2S — CID 114810978

IUPAC1-(aminomethyl)-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane
SMILESCN(C1CCCCC1CN)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H20F3N3O2S/c1-16(9-5-3-2-4-8(9)6-14)19(17,18)15-7-10(11,12)13/h8-9,15H,2-7,14H2,1H3
InChIKeyPKBTUKQHPNCPID-UHFFFAOYSA-N
MW303.35 g/mol
LogP0.83
Rot. Bonds5

About 1-(aminomethyl)-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane

1-(aminomethyl)-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane (PubChem CID 114810978) has the molecular formula C10H20F3N3O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane.

Molecular Properties

Compound Name1-(aminomethyl)-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane
PubChem CID114810978
Molecular FormulaC10H20F3N3O2S
Molecular Weight303.35 g/mol
Exact Mass303.12
IUPAC Name1-(aminomethyl)-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane
SMILESCN(C1CCCCC1CN)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H20F3N3O2S/c1-16(9-5-3-2-4-8(9)6-14)19(17,18)15-7-10(11,12)13/h8-9,15H,2-7,14H2,1H3
InChIKeyPKBTUKQHPNCPID-UHFFFAOYSA-N
XLogP0.83
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
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-(aminomethyl)-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane?
The IUPAC name of 1-(aminomethyl)-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane (CID 114810978) is 1-(aminomethyl)-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane.
What is the SMILES notation for 1-(aminomethyl)-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane?
The canonical SMILES for 1-(aminomethyl)-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane is CN(C1CCCCC1CN)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 1-(aminomethyl)-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane?
The InChIKey is PKBTUKQHPNCPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O2S/c1-16(9-5-3-2-4-8(9)6-14)19(17,18)15-7-10(11,12)13/h8-9,15H,2-7,14H2,1H3.
What are the key properties of 1-(aminomethyl)-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane?
1-(aminomethyl)-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane has a molecular weight of 303.35 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane is sourced from PubChem (CID 114810978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).