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

C10H20F3N3O2S — CID 167049527

IUPAC1-[[dimethylamino(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane
SMILESCN(C)N(CC1CCC(C(F)(F)F)CC1)S(N)(=O)=O
InChIInChI=1S/C10H20F3N3O2S/c1-15(2)16(19(14,17)18)7-8-3-5-9(6-4-8)10(11,12)13/h8-9H,3-7H2,1-2H3,(H2,14,17,18)
InChIKeyLZHOVHMDEJNXPH-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.34
Rot. Bonds4

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

1-[[dimethylamino(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane (PubChem CID 167049527) has the molecular formula C10H20F3N3O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is 1-[[dimethylamino(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1-[[dimethylamino(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane
PubChem CID167049527
Molecular FormulaC10H20F3N3O2S
Molecular Weight303.35 g/mol
Exact Mass303.12
IUPAC Name1-[[dimethylamino(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane
SMILESCN(C)N(CC1CCC(C(F)(F)F)CC1)S(N)(=O)=O
InChIInChI=1S/C10H20F3N3O2S/c1-15(2)16(19(14,17)18)7-8-3-5-9(6-4-8)10(11,12)13/h8-9H,3-7H2,1-2H3,(H2,14,17,18)
InChIKeyLZHOVHMDEJNXPH-UHFFFAOYSA-N
XLogP1.34
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[[dimethylamino(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[dimethylamino(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane?
The IUPAC name of 1-[[dimethylamino(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane (CID 167049527) is 1-[[dimethylamino(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1-[[dimethylamino(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane?
The canonical SMILES for 1-[[dimethylamino(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane is CN(C)N(CC1CCC(C(F)(F)F)CC1)S(N)(=O)=O.
What is the InChIKey of 1-[[dimethylamino(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane?
The InChIKey is LZHOVHMDEJNXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O2S/c1-15(2)16(19(14,17)18)7-8-3-5-9(6-4-8)10(11,12)13/h8-9H,3-7H2,1-2H3,(H2,14,17,18).
What are the key properties of 1-[[dimethylamino(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane?
1-[[dimethylamino(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane has a molecular weight of 303.35 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[dimethylamino(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 167049527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).