N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2-propylpentanamide

C16H24N2OS — CID 82988192

IUPACN-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCc1sccc1C#CCN
InChIInChI=1S/C16H24N2OS/c1-3-6-14(7-4-2)16(19)18-12-15-13(8-5-10-17)9-11-20-15/h9,11,14H,3-4,6-7,10,12,17H2,1-2H3,(H,18,19)
InChIKeyAKAFRGDWDCZFEJ-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.89
Rot. Bonds7

About N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2-propylpentanamide

N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2-propylpentanamide (PubChem CID 82988192) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2-propylpentanamide
PubChem CID82988192
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCc1sccc1C#CCN
InChIInChI=1S/C16H24N2OS/c1-3-6-14(7-4-2)16(19)18-12-15-13(8-5-10-17)9-11-20-15/h9,11,14H,3-4,6-7,10,12,17H2,1-2H3,(H,18,19)
InChIKeyAKAFRGDWDCZFEJ-UHFFFAOYSA-N
XLogP2.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminoprop-1-ynyl)-N-hexan-3-ylthiophene-2-carboxamide
CID 63800405
N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3,4-dihydroxybenzamide
CID 107728882
N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2,5-dichlorothiophene-3-carboxamide
CID 107964048
N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]pyridazine-4-carboxamide
CID 104671884
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propylpentanamide
CID 82987618
3-(3-aminoprop-1-ynyl)-N-[1-oxo-1-(propylamino)propan-2-yl]thiophene-2-carboxamide
CID 63799865
3-(3-aminoprop-1-ynyl)-N-butylthiophene-2-carboxamide
CID 63800208
N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-methoxypyridine-4-carboxamide
CID 105064279
N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209984
3-(3-aminoprop-1-ynyl)-N,N-dipropylthiophene-2-carboxamide
CID 63801431
(2R)-2-amino-N-[(3-ethylthiophen-2-yl)methyl]pentanamide
CID 103797879
methyl N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]carbamate
CID 114465852

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2-propylpentanamide?
The IUPAC name of N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2-propylpentanamide (CID 82988192) is N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2-propylpentanamide.
What is the SMILES notation for N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2-propylpentanamide?
The canonical SMILES for N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2-propylpentanamide is CCCC(CCC)C(=O)NCc1sccc1C#CCN.
What is the InChIKey of N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2-propylpentanamide?
The InChIKey is AKAFRGDWDCZFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-3-6-14(7-4-2)16(19)18-12-15-13(8-5-10-17)9-11-20-15/h9,11,14H,3-4,6-7,10,12,17H2,1-2H3,(H,18,19).
What are the key properties of N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2-propylpentanamide?
N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2-propylpentanamide has a molecular weight of 292.45 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2-propylpentanamide is sourced from PubChem (CID 82988192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).