1-[[methyl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane

C9H17F3N2O2S — CID 167049418

IUPAC1-[[methyl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane
SMILESCN(CC1CCC(C(F)(F)F)CC1)S(N)(=O)=O
InChIInChI=1S/C9H17F3N2O2S/c1-14(17(13,15)16)6-7-2-4-8(5-3-7)9(10,11)12/h7-8H,2-6H2,1H3,(H2,13,15,16)
InChIKeyXZGOFYBPYUJGHZ-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.49
Rot. Bonds3

About 1-[[methyl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane

1-[[methyl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane (PubChem CID 167049418) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 1-[[methyl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1-[[methyl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane
PubChem CID167049418
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC Name1-[[methyl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane
SMILESCN(CC1CCC(C(F)(F)F)CC1)S(N)(=O)=O
InChIInChI=1S/C9H17F3N2O2S/c1-14(17(13,15)16)6-7-2-4-8(5-3-7)9(10,11)12/h7-8H,2-6H2,1H3,(H2,13,15,16)
InChIKeyXZGOFYBPYUJGHZ-UHFFFAOYSA-N
XLogP1.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane?
The IUPAC name of 1-[[methyl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane (CID 167049418) is 1-[[methyl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1-[[methyl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane?
The canonical SMILES for 1-[[methyl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane is CN(CC1CCC(C(F)(F)F)CC1)S(N)(=O)=O.
What is the InChIKey of 1-[[methyl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane?
The InChIKey is XZGOFYBPYUJGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c1-14(17(13,15)16)6-7-2-4-8(5-3-7)9(10,11)12/h7-8H,2-6H2,1H3,(H2,13,15,16).
What are the key properties of 1-[[methyl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane?
1-[[methyl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane has a molecular weight of 274.31 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 167049418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).