4-amino-1-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrole-2-carboxamide

C11H16F3N3OS — CID 106425327

IUPAC4-amino-1-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCCSC(F)(F)F
InChIInChI=1S/C11H16F3N3OS/c1-2-4-17-7-8(15)6-9(17)10(18)16-3-5-19-11(12,13)14/h6-7H,2-5,15H2,1H3,(H,16,18)
InChIKeyJKDZBXGCLWAPIX-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.46
Rot. Bonds6

About 4-amino-1-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrole-2-carboxamide

4-amino-1-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrole-2-carboxamide (PubChem CID 106425327) has the molecular formula C11H16F3N3OS and a molecular weight of 295.33 g/mol. Its IUPAC name is 4-amino-1-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrole-2-carboxamide
PubChem CID106425327
Molecular FormulaC11H16F3N3OS
Molecular Weight295.33 g/mol
Exact Mass295.10
IUPAC Name4-amino-1-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCCSC(F)(F)F
InChIInChI=1S/C11H16F3N3OS/c1-2-4-17-7-8(15)6-9(17)10(18)16-3-5-19-11(12,13)14/h6-7H,2-5,15H2,1H3,(H,16,18)
InChIKeyJKDZBXGCLWAPIX-UHFFFAOYSA-N
XLogP2.46
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrole-2-carboxamide
CID 106425287
4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide
CID 83107929
4-amino-N-[2-(methylsulfamoyl)ethyl]-1-propylpyrrole-2-carboxamide
CID 106332688
4-amino-1-ethyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide
CID 63228692
4-amino-N-[2-(dimethylamino)propyl]-1-propylpyrrole-2-carboxamide
CID 61139515
4-amino-N-(5-hydroxy-4-methylpentyl)-1-propylpyrrole-2-carboxamide
CID 106152159
4-amino-N-(2-hydroxy-2-methylpentyl)-1-propylpyrrole-2-carboxamide
CID 106289281
4-amino-1-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrole-2-carboxamide
CID 63238946
4-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-propylpyrrole-2-carboxamide
CID 106179940
3,5-diamino-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 113228248
4-amino-N-(2,6-difluorophenyl)-1-propylpyrrole-2-carboxamide
CID 43643237
4-amino-N-[(2,4-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 62223456

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrole-2-carboxamide (CID 106425327) is 4-amino-1-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)NCCSC(F)(F)F.
What is the InChIKey of 4-amino-1-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrole-2-carboxamide?
The InChIKey is JKDZBXGCLWAPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3OS/c1-2-4-17-7-8(15)6-9(17)10(18)16-3-5-19-11(12,13)14/h6-7H,2-5,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-1-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrole-2-carboxamide?
4-amino-1-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrole-2-carboxamide has a molecular weight of 295.33 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 106425327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).