1-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]pyridin-2-one

C13H16N2O2S — CID 114188509

IUPAC1-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCNCC(O)c1ccsc1
InChIInChI=1S/C13H16N2O2S/c16-12(11-4-8-18-10-11)9-14-5-7-15-6-2-1-3-13(15)17/h1-4,6,8,10,12,14,16H,5,7,9H2
InChIKeySALDESQBGMCFPJ-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.23
Rot. Bonds6

About 1-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]pyridin-2-one

1-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]pyridin-2-one (PubChem CID 114188509) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]pyridin-2-one
PubChem CID114188509
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name1-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCNCC(O)c1ccsc1
InChIInChI=1S/C13H16N2O2S/c16-12(11-4-8-18-10-11)9-14-5-7-15-6-2-1-3-13(15)17/h1-4,6,8,10,12,14,16H,5,7,9H2
InChIKeySALDESQBGMCFPJ-UHFFFAOYSA-N
XLogP1.23
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(thiophen-3-ylmethylamino)ethyl]pyridin-2-one
CID 78977821
1-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]imidazolidin-2-one
CID 106435320
2-(2-fluoroethylamino)-1-thiophen-3-ylethanol
CID 106435014
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol
CID 106434996
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide
CID 106435072
1-[3-(2-methylpropylamino)propyl]pyridin-2-one
CID 62564337
methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate
CID 106435089
2-[2-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]phenyl]acetic acid
CID 106435361
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
1-[2-[2-(2-hydroxyethyl)pentylamino]ethyl]pyridin-2-one
CID 114145307
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 32634841
1-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl]pyridin-2-one
CID 82897282

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]pyridin-2-one (CID 114188509) is 1-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]pyridin-2-one is O=c1ccccn1CCNCC(O)c1ccsc1.
What is the InChIKey of 1-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]pyridin-2-one?
The InChIKey is SALDESQBGMCFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c16-12(11-4-8-18-10-11)9-14-5-7-15-6-2-1-3-13(15)17/h1-4,6,8,10,12,14,16H,5,7,9H2.
What are the key properties of 1-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]pyridin-2-one?
1-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]pyridin-2-one has a molecular weight of 264.35 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]pyridin-2-one is sourced from PubChem (CID 114188509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).