N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide

C9H14N2O2S — CID 66386722

IUPACN-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCCO
InChIInChI=1S/C9H14N2O2S/c1-7(13)11-8-2-5-14-9(8)6-10-3-4-12/h2,5,10,12H,3-4,6H2,1H3,(H,11,13)
InChIKeyKVJKUOOBPDDGGN-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.79
Rot. Bonds5

About N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide

N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide (PubChem CID 66386722) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide
PubChem CID66386722
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC NameN-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCCO
InChIInChI=1S/C9H14N2O2S/c1-7(13)11-8-2-5-14-9(8)6-10-3-4-12/h2,5,10,12H,3-4,6H2,1H3,(H,11,13)
InChIKeyKVJKUOOBPDDGGN-UHFFFAOYSA-N
XLogP0.79
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(3-acetamidothiophen-2-yl)methylamino]propanoate
CID 66384915
N-[2-[(3-acetamidothiophen-2-yl)methylamino]ethyl]-2-methylpropanamide
CID 66386114
N-[2-[(2-ethoxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66385931
N-[2-[[2-(methylsulfamoyl)ethylamino]methyl]thiophen-3-yl]acetamide
CID 114174810
N-[2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]thiophen-3-yl]acetamide
CID 115359068
N-[2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]thiophen-3-yl]acetamide
CID 114465669
N-[2-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]thiophen-3-yl]acetamide
CID 66387573
N-[2-[(cyclopropylmethylamino)methyl]thiophen-3-yl]acetamide
CID 66384880
N-[2-[(1-hydroxybutan-2-ylamino)methyl]thiophen-3-yl]acetamide
CID 66385318
N-[2-[[3-(2-methylpropoxy)propylamino]methyl]thiophen-3-yl]acetamide
CID 66385918
N-[2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]thiophen-3-yl]acetamide
CID 66386316
N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]thiophen-3-yl]acetamide
CID 103005135

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide (CID 66386722) is N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNCCO.
What is the InChIKey of N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide?
The InChIKey is KVJKUOOBPDDGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-7(13)11-8-2-5-14-9(8)6-10-3-4-12/h2,5,10,12H,3-4,6H2,1H3,(H,11,13).
What are the key properties of N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide?
N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide has a molecular weight of 214.29 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 66386722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).