N-[(3-methoxythiolan-3-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide

C10H15F3N2O3S — CID 90584495

IUPACN-[(3-methoxythiolan-3-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide
SMILESCOC1(CNC(=O)C(=O)NCC(F)(F)F)CCSC1
InChIInChI=1S/C10H15F3N2O3S/c1-18-9(2-3-19-6-9)4-14-7(16)8(17)15-5-10(11,12)13/h2-6H2,1H3,(H,14,16)(H,15,17)
InChIKeyFRZPCNDUAGOHLS-UHFFFAOYSA-N
MW300.30 g/mol
LogP0.30
Rot. Bonds4

About N-[(3-methoxythiolan-3-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide

N-[(3-methoxythiolan-3-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide (PubChem CID 90584495) has the molecular formula C10H15F3N2O3S and a molecular weight of 300.30 g/mol. Its IUPAC name is N-[(3-methoxythiolan-3-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide.

Molecular Properties

Compound NameN-[(3-methoxythiolan-3-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide
PubChem CID90584495
Molecular FormulaC10H15F3N2O3S
Molecular Weight300.30 g/mol
Exact Mass300.08
IUPAC NameN-[(3-methoxythiolan-3-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide
SMILESCOC1(CNC(=O)C(=O)NCC(F)(F)F)CCSC1
InChIInChI=1S/C10H15F3N2O3S/c1-18-9(2-3-19-6-9)4-14-7(16)8(17)15-5-10(11,12)13/h2-6H2,1H3,(H,14,16)(H,15,17)
InChIKeyFRZPCNDUAGOHLS-UHFFFAOYSA-N
XLogP0.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3-methoxythiolan-3-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide 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

(S)-2-methyl-4-(methylthio)-1-(N-2,2,2-trifluoroethylcarbamoylcarbonylamino)-2-butanol
CID 95984533
N1-(2-hydroxy-2-methyl-4-(methylthio)butyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 71787397
N-(2-methoxyethyl)-N-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958006
N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 95984532
N1-((3-methoxytetrahydrothiophen-3-yl)methyl)-N2-methyloxalamide
CID 90584422
N1-ethyl-N2-((3-methoxytetrahydrothiophen-3-yl)methyl)oxalamide
CID 90584423
N1-cyclopropyl-N2-((3-methoxytetrahydrothiophen-3-yl)methyl)oxalamide
CID 90584425
N1-((3-methoxytetrahydrothiophen-3-yl)methyl)-N2-propyloxalamide
CID 90584426
N1-isopropyl-N2-((3-methoxytetrahydrothiophen-3-yl)methyl)oxalamide
CID 90584427
N1-(tert-butyl)-N2-((3-methoxytetrahydrothiophen-3-yl)methyl)oxalamide
CID 90584428
N1-isobutyl-N2-((3-methoxytetrahydrothiophen-3-yl)methyl)oxalamide
CID 90584429
N1-(2-methoxyethyl)-N2-((3-methoxytetrahydrothiophen-3-yl)methyl)oxalamide
CID 90584430

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxythiolan-3-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide?
The IUPAC name of N-[(3-methoxythiolan-3-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide (CID 90584495) is N-[(3-methoxythiolan-3-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide.
What is the SMILES notation for N-[(3-methoxythiolan-3-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide?
The canonical SMILES for N-[(3-methoxythiolan-3-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide is COC1(CNC(=O)C(=O)NCC(F)(F)F)CCSC1.
What is the InChIKey of N-[(3-methoxythiolan-3-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide?
The InChIKey is FRZPCNDUAGOHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3S/c1-18-9(2-3-19-6-9)4-14-7(16)8(17)15-5-10(11,12)13/h2-6H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-[(3-methoxythiolan-3-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide?
N-[(3-methoxythiolan-3-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide has a molecular weight of 300.30 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxythiolan-3-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide is sourced from PubChem (CID 90584495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).