N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]prop-2-enamide

C11H15NO2S — CID 126816815

IUPACN-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]prop-2-enamide
SMILESC=CC(=O)NCC(CO)Cc1ccsc1
InChIInChI=1S/C11H15NO2S/c1-2-11(14)12-6-10(7-13)5-9-3-4-15-8-9/h2-4,8,10,13H,1,5-7H2,(H,12,14)
InChIKeyYGLRNSNZYJUCIE-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.20
Rot. Bonds6

About N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]prop-2-enamide

N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]prop-2-enamide (PubChem CID 126816815) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]prop-2-enamide
PubChem CID126816815
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]prop-2-enamide
SMILESC=CC(=O)NCC(CO)Cc1ccsc1
InChIInChI=1S/C11H15NO2S/c1-2-11(14)12-6-10(7-13)5-9-3-4-15-8-9/h2-4,8,10,13H,1,5-7H2,(H,12,14)
InChIKeyYGLRNSNZYJUCIE-UHFFFAOYSA-N
XLogP1.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide
CID 61473728
N-[(2S)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 99960412
2-ethyl-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]pyrimidine-5-carboxamide
CID 74238284
2-(thiophen-3-ylmethyl)butan-1-ol
CID 21301482
N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 97445497
N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-pyrazol-1-ylbenzamide
CID 70769503
3-(4,6-dimethyl-2-pyridinyl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]benzamide
CID 118789146
N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-[6-(methylamino)pyridazin-3-yl]benzamide
CID 125447855
1-(4-aminocyclohexyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]triazole-4-carboxamide
CID 98350764
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]acetamide
CID 77082890
2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol
CID 115724134
2-[(3-fluorophenyl)methyl]-3-thiophen-3-ylpropan-1-ol
CID 66059493

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]prop-2-enamide?
The IUPAC name of N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]prop-2-enamide (CID 126816815) is N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]prop-2-enamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]prop-2-enamide?
The canonical SMILES for N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]prop-2-enamide is C=CC(=O)NCC(CO)Cc1ccsc1.
What is the InChIKey of N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]prop-2-enamide?
The InChIKey is YGLRNSNZYJUCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-2-11(14)12-6-10(7-13)5-9-3-4-15-8-9/h2-4,8,10,13H,1,5-7H2,(H,12,14).
What are the key properties of N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]prop-2-enamide?
N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]prop-2-enamide has a molecular weight of 225.31 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]prop-2-enamide is sourced from PubChem (CID 126816815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).