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

C10H15F3N2OS — CID 80590006

IUPAC1-carbamothioyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1(C(N)=S)CC1
InChIInChI=1S/C10H15F3N2OS/c1-2-5-15(6-10(11,12)13)8(16)9(3-4-9)7(14)17/h2-6H2,1H3,(H2,14,17)
InChIKeyNKOZXPGPFOMCDV-UHFFFAOYSA-N
MW268.30 g/mol
LogP1.85
Rot. Bonds5

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

1-carbamothioyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (PubChem CID 80590006) has the molecular formula C10H15F3N2OS and a molecular weight of 268.30 g/mol. Its IUPAC name is 1-carbamothioyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
PubChem CID80590006
Molecular FormulaC10H15F3N2OS
Molecular Weight268.30 g/mol
Exact Mass268.09
IUPAC Name1-carbamothioyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1(C(N)=S)CC1
InChIInChI=1S/C10H15F3N2OS/c1-2-5-15(6-10(11,12)13)8(16)9(3-4-9)7(14)17/h2-6H2,1H3,(H2,14,17)
InChIKeyNKOZXPGPFOMCDV-UHFFFAOYSA-N
XLogP1.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 51.85
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-propyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (CID 80590006) is 1-carbamothioyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is CCCN(CC(F)(F)F)C(=O)C1(C(N)=S)CC1.
What is the InChIKey of 1-carbamothioyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The InChIKey is NKOZXPGPFOMCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2OS/c1-2-5-15(6-10(11,12)13)8(16)9(3-4-9)7(14)17/h2-6H2,1H3,(H2,14,17).
What are the key properties of 1-carbamothioyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
1-carbamothioyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide has a molecular weight of 268.30 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80590006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).