N-(2-amino-2-sulfanylideneethyl)-N'-(2,2,2-trifluoroethyl)oxamide

C6H8F3N3O2S — CID 43316392

IUPACN-(2-amino-2-sulfanylideneethyl)-N'-(2,2,2-trifluoroethyl)oxamide
SMILESNC(=S)CNC(=O)C(=O)NCC(F)(F)F
InChIInChI=1S/C6H8F3N3O2S/c7-6(8,9)2-12-5(14)4(13)11-1-3(10)15/h1-2H2,(H2,10,15)(H,11,13)(H,12,14)
InChIKeyDSPXEXWBLDWLAG-UHFFFAOYSA-N
MW243.21 g/mol
LogP-0.93
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)-N'-(2,2,2-trifluoroethyl)oxamide

N-(2-amino-2-sulfanylideneethyl)-N'-(2,2,2-trifluoroethyl)oxamide (PubChem CID 43316392) has the molecular formula C6H8F3N3O2S and a molecular weight of 243.21 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N'-(2,2,2-trifluoroethyl)oxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N'-(2,2,2-trifluoroethyl)oxamide
PubChem CID43316392
Molecular FormulaC6H8F3N3O2S
Molecular Weight243.21 g/mol
Exact Mass243.03
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N'-(2,2,2-trifluoroethyl)oxamide
SMILESNC(=S)CNC(=O)C(=O)NCC(F)(F)F
InChIInChI=1S/C6H8F3N3O2S/c7-6(8,9)2-12-5(14)4(13)11-1-3(10)15/h1-2H2,(H2,10,15)(H,11,13)(H,12,14)
InChIKeyDSPXEXWBLDWLAG-UHFFFAOYSA-N
XLogP-0.93
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-sulfanylideneethyl)-N'-(2,2-dimethylpropyl)oxamide
CID 61167659
methyl 2-[[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]amino]acetate
CID 43316324
N'-(2,2,2-trifluoroethyl)propanediamide
CID 87594985
N-(2-amino-2-sulfanylideneethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208314
N-(2-amino-2-sulfanylideneethyl)-N'-[2-(cyclopropylamino)-2-oxoethyl]oxamide
CID 43568518
N-(2-amino-2-sulfanylideneethyl)-N'-[4-bromo-3-(trifluoromethyl)phenyl]oxamide
CID 64854956
N'-(2-amino-2-sulfanylideneethyl)-N-[3-(dimethylamino)propyl]oxamide
CID 43316357
2,3-dimethyl-4-oxo-4-(2,2,2-trifluoroethylamino)but-2-enoic acid
CID 76991747
N-(2,2,2-trifluoroethyl)acetamide
CID 23168969
N-(2-amino-2-sulfanylideneethyl)propanamide
CID 61126887
2-(2,2,2-trifluoroethylamino)acetamide;hydrochloride
CID 75481018
N-(2-amino-2-sulfanylideneethyl)-N'-(4-carbamoylphenyl)oxamide
CID 43316270

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(2,2,2-trifluoroethyl)oxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(2,2,2-trifluoroethyl)oxamide (CID 43316392) is N-(2-amino-2-sulfanylideneethyl)-N'-(2,2,2-trifluoroethyl)oxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N'-(2,2,2-trifluoroethyl)oxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N'-(2,2,2-trifluoroethyl)oxamide is NC(=S)CNC(=O)C(=O)NCC(F)(F)F.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N'-(2,2,2-trifluoroethyl)oxamide?
The InChIKey is DSPXEXWBLDWLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O2S/c7-6(8,9)2-12-5(14)4(13)11-1-3(10)15/h1-2H2,(H2,10,15)(H,11,13)(H,12,14).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N'-(2,2,2-trifluoroethyl)oxamide?
N-(2-amino-2-sulfanylideneethyl)-N'-(2,2,2-trifluoroethyl)oxamide has a molecular weight of 243.21 g/mol, XLogP of -0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N'-(2,2,2-trifluoroethyl)oxamide is sourced from PubChem (CID 43316392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).