3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide

C6H13F3N4O2S — CID 114813151

IUPAC3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
SMILES[H]/N=C(\N)CC(C)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H13F3N4O2S/c1-4(2-5(10)11)13-16(14,15)12-3-6(7,8)9/h4,12-13H,2-3H2,1H3,(H3,10,11)
InChIKeyQEVCZMVNMPODQD-UHFFFAOYSA-N
MW262.26 g/mol
LogP-0.31
Rot. Bonds6

About 3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide

3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide (PubChem CID 114813151) has the molecular formula C6H13F3N4O2S and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
PubChem CID114813151
Molecular FormulaC6H13F3N4O2S
Molecular Weight262.26 g/mol
Exact Mass262.07
IUPAC Name3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
SMILES[H]/N=C(\N)CC(C)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H13F3N4O2S/c1-4(2-5(10)11)13-16(14,15)12-3-6(7,8)9/h4,12-13H,2-3H2,1H3,(H3,10,11)
InChIKeyQEVCZMVNMPODQD-UHFFFAOYSA-N
XLogP-0.31
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
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-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide 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

2-(Difluoromethylsulfonylamino)butanimidamide
CID 64406344
3-(Difluoromethylsulfonylamino)butanimidamide
CID 64408323
3-(Difluoromethylsulfonylamino)pentanimidamide
CID 64408457
N'-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 104978412
N'-hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanimidamide
CID 104978450
N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 113637605
N'-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide
CID 113637630
3-[Methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanimidamide
CID 113637731
3-[Propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 113637744
2-(2,2,2-Trifluoroethylsulfamoylamino)pentanimidamide
CID 113637756
5-(2,2,2-Trifluoroethylsulfamoylamino)pentanimidamide
CID 113637778
3-(2,2,2-Trifluoroethylsulfamoylamino)propanimidamide
CID 114813209

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide?
The IUPAC name of 3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide (CID 114813151) is 3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide.
What is the SMILES notation for 3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide?
The canonical SMILES for 3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide is [H]/N=C(\N)CC(C)NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide?
The InChIKey is QEVCZMVNMPODQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N4O2S/c1-4(2-5(10)11)13-16(14,15)12-3-6(7,8)9/h4,12-13H,2-3H2,1H3,(H3,10,11).
What are the key properties of 3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide?
3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide has a molecular weight of 262.26 g/mol, XLogP of -0.31, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide is sourced from PubChem (CID 114813151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).