N-(3-aminopropyl)-5-(trifluoromethyl)thiophene-3-carboxamide

C9H11F3N2OS — CID 110834051

IUPACN-(3-aminopropyl)-5-(trifluoromethyl)thiophene-3-carboxamide
SMILESNCCCNC(=O)c1csc(C(F)(F)F)c1
InChIInChI=1S/C9H11F3N2OS/c10-9(11,12)7-4-6(5-16-7)8(15)14-3-1-2-13/h4-5H,1-3,13H2,(H,14,15)
InChIKeyQMYDFSYLJIMXJH-UHFFFAOYSA-N
MW252.26 g/mol
LogP1.85
Rot. Bonds4

About N-(3-aminopropyl)-5-(trifluoromethyl)thiophene-3-carboxamide

N-(3-aminopropyl)-5-(trifluoromethyl)thiophene-3-carboxamide (PubChem CID 110834051) has the molecular formula C9H11F3N2OS and a molecular weight of 252.26 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-(trifluoromethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-(trifluoromethyl)thiophene-3-carboxamide
PubChem CID110834051
Molecular FormulaC9H11F3N2OS
Molecular Weight252.26 g/mol
Exact Mass252.05
IUPAC NameN-(3-aminopropyl)-5-(trifluoromethyl)thiophene-3-carboxamide
SMILESNCCCNC(=O)c1csc(C(F)(F)F)c1
InChIInChI=1S/C9H11F3N2OS/c10-9(11,12)7-4-6(5-16-7)8(15)14-3-1-2-13/h4-5H,1-3,13H2,(H,14,15)
InChIKeyQMYDFSYLJIMXJH-UHFFFAOYSA-N
XLogP1.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-5-bromothiophene-3-carboxamide
CID 61249682
1,2-bis[5-(trifluoromethyl)thiophen-3-yl]ethane-1,2-dione
CID 155978460
N-(3-aminopropyl)-3-fluoro-4-(trifluoromethyl)benzamide
CID 118973559
4-acetyl-N-(3-aminopropyl)thiophene-2-carboxamide
CID 119405170
5-sulfamoyl-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide
CID 115491568
N-[(3,5-dimethylbenzimidazol-4-yl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide
CID 146590734
N-(3-aminopropyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119408105
N-(3-aminopropyl)naphthalene-2-carboxamide
CID 24691516
N-(3-aminopropyl)-3-iodobenzamide
CID 28978873
4-N-(3-aminopropyl)benzene-1,4-dicarboxamide
CID 11053215
4-amino-N-(4-aminobutyl)-3,5-difluorobenzamide
CID 155067191
N-(3-aminopropyl)-4-fluoro-3-methylbenzamide
CID 63208781

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-(trifluoromethyl)thiophene-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-5-(trifluoromethyl)thiophene-3-carboxamide (CID 110834051) is N-(3-aminopropyl)-5-(trifluoromethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-5-(trifluoromethyl)thiophene-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-5-(trifluoromethyl)thiophene-3-carboxamide is NCCCNC(=O)c1csc(C(F)(F)F)c1.
What is the InChIKey of N-(3-aminopropyl)-5-(trifluoromethyl)thiophene-3-carboxamide?
The InChIKey is QMYDFSYLJIMXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2OS/c10-9(11,12)7-4-6(5-16-7)8(15)14-3-1-2-13/h4-5H,1-3,13H2,(H,14,15).
What are the key properties of N-(3-aminopropyl)-5-(trifluoromethyl)thiophene-3-carboxamide?
N-(3-aminopropyl)-5-(trifluoromethyl)thiophene-3-carboxamide has a molecular weight of 252.26 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-(trifluoromethyl)thiophene-3-carboxamide is sourced from PubChem (CID 110834051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).