3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide

C6H13F3N4O2S — CID 114813493

IUPAC3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H13F3N4O2S/c1-13(3-2-5(10)11)16(14,15)12-4-6(7,8)9/h12H,2-4H2,1H3,(H3,10,11)
InChIKeyOLBUJNSQYPSAIU-UHFFFAOYSA-N
MW262.26 g/mol
LogP-0.36
Rot. Bonds6

About 3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide

3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide (PubChem CID 114813493) has the molecular formula C6H13F3N4O2S and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
PubChem CID114813493
Molecular FormulaC6H13F3N4O2S
Molecular Weight262.26 g/mol
Exact Mass262.07
IUPAC Name3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H13F3N4O2S/c1-13(3-2-5(10)11)16(14,15)12-4-6(7,8)9/h12H,2-4H2,1H3,(H3,10,11)
InChIKeyOLBUJNSQYPSAIU-UHFFFAOYSA-N
XLogP-0.36
TPSA99.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide with MolForge

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

Launch Full Analysis

Related Compounds

3-[Difluoromethylsulfonyl(ethyl)amino]propanimidamide
CID 64405656
3-[Difluoromethylsulfonyl(methyl)amino]propanimidamide
CID 64412269
N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 104978252
N'-hydroxy-2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 104978363
N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanimidamide
CID 104978450
3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxypropanimidamide
CID 113637617
3-[Methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanimidamide
CID 113637731
3-[Propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 113637744
3-(2,2,2-Trifluoroethylsulfamoylamino)butanimidamide
CID 114813151
3-(2,2,2-Trifluoroethylsulfamoylamino)propanimidamide
CID 114813209
3-[Ethyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 114813229
2-Methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 114813254

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide?
The IUPAC name of 3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide (CID 114813493) is 3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide.
What is the SMILES notation for 3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide?
The canonical SMILES for 3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide is [H]/N=C(\N)CCN(C)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide?
The InChIKey is OLBUJNSQYPSAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N4O2S/c1-13(3-2-5(10)11)16(14,15)12-4-6(7,8)9/h12H,2-4H2,1H3,(H3,10,11).
What are the key properties of 3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide?
3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide has a molecular weight of 262.26 g/mol, XLogP of -0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide is sourced from PubChem (CID 114813493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).