4-acetyl-N-(3-aminopropyl)thiophene-2-carboxamide

C10H14N2O2S — CID 119405170

IUPAC4-acetyl-N-(3-aminopropyl)thiophene-2-carboxamide
SMILESCC(=O)c1csc(C(=O)NCCCN)c1
InChIInChI=1S/C10H14N2O2S/c1-7(13)8-5-9(15-6-8)10(14)12-4-2-3-11/h5-6H,2-4,11H2,1H3,(H,12,14)
InChIKeyFEMIZBYSTIDQJP-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.03
Rot. Bonds5

About 4-acetyl-N-(3-aminopropyl)thiophene-2-carboxamide

4-acetyl-N-(3-aminopropyl)thiophene-2-carboxamide (PubChem CID 119405170) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-acetyl-N-(3-aminopropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(3-aminopropyl)thiophene-2-carboxamide
PubChem CID119405170
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name4-acetyl-N-(3-aminopropyl)thiophene-2-carboxamide
SMILESCC(=O)c1csc(C(=O)NCCCN)c1
InChIInChI=1S/C10H14N2O2S/c1-7(13)8-5-9(15-6-8)10(14)12-4-2-3-11/h5-6H,2-4,11H2,1H3,(H,12,14)
InChIKeyFEMIZBYSTIDQJP-UHFFFAOYSA-N
XLogP1.03
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.03
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-acetyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119429860
4-acetyl-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 119390974
4-acetyl-N-(2-amino-2-ethylbutyl)thiophene-2-carboxamide
CID 119640021
4-acetyl-N-(1-amino-2-methylpropan-2-yl)thiophene-2-carboxamide
CID 119521663
N-(3-aminopropyl)-5-bromothiophene-3-carboxamide
CID 61249682
N-(3-aminopropyl)-5-(trifluoromethyl)thiophene-3-carboxamide
CID 110834051
4-acetyl-N-[(2S)-1-hydroxybutan-2-yl]thiophene-2-carboxamide
CID 97340263
4-acetyl-N-[2-(aminomethyl)cyclopentyl]thiophene-2-carboxamide;hydrochloride
CID 119600925
2-[[(4-acetylthiophene-2-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 119253768
4-acetyl-N-(3-aminopropyl)-N-benzylthiophene-2-carboxamide
CID 120649352
(2R)-2-[(4-acetylthiophene-2-carbonyl)amino]-4-methylpentanoic acid
CID 119364770
N-(3-aminopropyl)-4,5-dibromothiophene-2-carboxamide
CID 80537023

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(3-aminopropyl)thiophene-2-carboxamide?
The IUPAC name of 4-acetyl-N-(3-aminopropyl)thiophene-2-carboxamide (CID 119405170) is 4-acetyl-N-(3-aminopropyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(3-aminopropyl)thiophene-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(3-aminopropyl)thiophene-2-carboxamide is CC(=O)c1csc(C(=O)NCCCN)c1.
What is the InChIKey of 4-acetyl-N-(3-aminopropyl)thiophene-2-carboxamide?
The InChIKey is FEMIZBYSTIDQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-7(13)8-5-9(15-6-8)10(14)12-4-2-3-11/h5-6H,2-4,11H2,1H3,(H,12,14).
What are the key properties of 4-acetyl-N-(3-aminopropyl)thiophene-2-carboxamide?
4-acetyl-N-(3-aminopropyl)thiophene-2-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(3-aminopropyl)thiophene-2-carboxamide is sourced from PubChem (CID 119405170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).