1-carbamothioyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide

C8H11F3N2OS — CID 80589363

IUPAC1-carbamothioyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCN(CC(F)(F)F)C(=O)C1(C(N)=S)CC1
InChIInChI=1S/C8H11F3N2OS/c1-13(4-8(9,10)11)6(14)7(2-3-7)5(12)15/h2-4H2,1H3,(H2,12,15)
InChIKeyVSBITNNWDNJSHS-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.07
Rot. Bonds3

About 1-carbamothioyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide

1-carbamothioyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (PubChem CID 80589363) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-carbamothioyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
PubChem CID80589363
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name1-carbamothioyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCN(CC(F)(F)F)C(=O)C1(C(N)=S)CC1
InChIInChI=1S/C8H11F3N2OS/c1-13(4-8(9,10)11)6(14)7(2-3-7)5(12)15/h2-4H2,1H3,(H2,12,15)
InChIKeyVSBITNNWDNJSHS-UHFFFAOYSA-N
XLogP1.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.07
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 1-carbamothioyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (CID 80589363) is 1-carbamothioyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is CN(CC(F)(F)F)C(=O)C1(C(N)=S)CC1.
What is the InChIKey of 1-carbamothioyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The InChIKey is VSBITNNWDNJSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-13(4-8(9,10)11)6(14)7(2-3-7)5(12)15/h2-4H2,1H3,(H2,12,15).
What are the key properties of 1-carbamothioyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
1-carbamothioyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide has a molecular weight of 240.25 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80589363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).