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

C7H15F3N4O2S — CID 114813254

IUPAC2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H15F3N4O2S/c1-5(6(11)12)3-14(2)17(15,16)13-4-7(8,9)10/h5,13H,3-4H2,1-2H3,(H3,11,12)
InChIKeyKGPBPTQCJCPOAD-UHFFFAOYSA-N
MW276.28 g/mol
LogP-0.11
Rot. Bonds6

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

2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide (PubChem CID 114813254) has the molecular formula C7H15F3N4O2S and a molecular weight of 276.28 g/mol. Its IUPAC name is 2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide.

Molecular Properties

Compound Name2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
PubChem CID114813254
Molecular FormulaC7H15F3N4O2S
Molecular Weight276.28 g/mol
Exact Mass276.09
IUPAC Name2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H15F3N4O2S/c1-5(6(11)12)3-14(2)17(15,16)13-4-7(8,9)10/h5,13H,3-4H2,1-2H3,(H3,11,12)
InChIKeyKGPBPTQCJCPOAD-UHFFFAOYSA-N
XLogP-0.11
TPSA99.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 5-0.11
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'}

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Related Compounds

3-[Difluoromethylsulfonyl(ethyl)amino]-2-methylpropanimidamide
CID 64406096
3-[Difluoromethylsulfonyl(methyl)amino]-2-methylpropanimidamide
CID 64408177
N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 104978252
3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 104978350
N'-hydroxy-2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 104978363
N'-hydroxy-3-[2-methylpropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 104978380
N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 104978432
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)propanimidamide
CID 114813209
3-[Ethyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 114813229

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide?
The IUPAC name of 2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide (CID 114813254) is 2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide.
What is the SMILES notation for 2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide?
The canonical SMILES for 2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide is [H]/N=C(\N)C(C)CN(C)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide?
The InChIKey is KGPBPTQCJCPOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N4O2S/c1-5(6(11)12)3-14(2)17(15,16)13-4-7(8,9)10/h5,13H,3-4H2,1-2H3,(H3,11,12).
What are the key properties of 2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide?
2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide has a molecular weight of 276.28 g/mol, XLogP of -0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide is sourced from PubChem (CID 114813254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).