2-carbamothioyl-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide

C10H17F3N2OS — CID 113270589

IUPAC2-carbamothioyl-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCN(CC(F)(F)F)C(=O)C(C)(CC)C(N)=S
InChIInChI=1S/C10H17F3N2OS/c1-4-9(3,7(14)17)8(16)15(5-2)6-10(11,12)13/h4-6H2,1-3H3,(H2,14,17)
InChIKeyDWMMAUSDXQPURP-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.10
Rot. Bonds5

About 2-carbamothioyl-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide

2-carbamothioyl-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 113270589) has the molecular formula C10H17F3N2OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-carbamothioyl-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID113270589
Molecular FormulaC10H17F3N2OS
Molecular Weight270.32 g/mol
Exact Mass270.10
IUPAC Name2-carbamothioyl-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCN(CC(F)(F)F)C(=O)C(C)(CC)C(N)=S
InChIInChI=1S/C10H17F3N2OS/c1-4-9(3,7(14)17)8(16)15(5-2)6-10(11,12)13/h4-6H2,1-3H3,(H2,14,17)
InChIKeyDWMMAUSDXQPURP-UHFFFAOYSA-N
XLogP2.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 2-carbamothioyl-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide (CID 113270589) is 2-carbamothioyl-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 2-carbamothioyl-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 2-carbamothioyl-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide is CCN(CC(F)(F)F)C(=O)C(C)(CC)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is DWMMAUSDXQPURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2OS/c1-4-9(3,7(14)17)8(16)15(5-2)6-10(11,12)13/h4-6H2,1-3H3,(H2,14,17).
What are the key properties of 2-carbamothioyl-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide?
2-carbamothioyl-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 270.32 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 113270589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).